5URM: Human BRR2

Crystal structure of human BRR2 in complex with T-1206548. Determined by X-ray diffraction at 2.8 Å resolution. Released 19 Jul 2017.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Homo sapiens
Chains: 2
Atoms: 27,571
Mol. weight: 398.07 kDa
Ligands: 8LV
Released: 19 Jul 2017

Explore 5URM in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5URM contains 189 α-helices and 136 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 97 helices, 67 β-strands

Element	Residues	Length	Sheet
α-helix	411-414	4
α-helix	419-421	3
α-helix	429-431	3
β-strand	435-438	4	1
β-strand	442-447	6	1
α-helix	448-451	4
β-strand	463	1	2
α-helix	464-466	3
α-helix	469-471	3
β-strand	480	1	2
α-helix	483-494	12
β-strand	499-503	5	3
α-helix	509-521	13
α-helix	533-535	3
β-strand	537-541	5	3
α-helix	545-559	15
α-helix	560-562	3
β-strand	566-568	3	3
α-helix	575-581	7
β-strand	585-588	4	3
α-helix	590-596	7
α-helix	603-606	4
β-strand	609-614	6	3
α-helix	617-621	5
α-helix	625-642	18
β-strand	647-653	7	3
α-helix	658-664	7
β-strand	673-675	3	3
α-helix	678-680	3
β-strand	685-692	8	1
α-helix	697-713	17
β-strand	721-724	4	1
α-helix	728-740	13
α-helix	761-766	6
α-helix	774-777	4
α-helix	778-780	3
β-strand	782-785	4	1
α-helix	791-802	12
β-strand	808-811	4	1
α-helix	813-818	6
β-strand	823	1	4
β-strand	825-829	5	1
β-strand	832-835	4	5
β-strand	840-843	4	5
α-helix	844-845	2
α-helix	846-853	8
β-strand	856	1	4
β-strand	865-872	8	1
α-helix	876-883	8
α-helix	893-906	14
β-strand	912	1	6
α-helix	913-920	8
α-helix	924-931	8
α-helix	940-945	6
α-helix	950-966	17
β-strand	970-972	3	7
β-strand	978	1	6
β-strand	979-981	3	7
α-helix	983-990	8
α-helix	995-1004	10
α-helix	1011-1019	9
α-helix	1022-1024	3
α-helix	1031-1043	13
α-helix	1055-1068	14
α-helix	1075-1102	28
β-strand	1104	1	8
α-helix	1105-1120	16
α-helix	1128-1131	4
α-helix	1137-1145	9
α-helix	1150-1155	6
α-helix	1158-1164	7
α-helix	1171-1178	8
β-strand	1184-1194	11	9
β-strand	1197-1206	10	9
α-helix	1212-1215	4
β-strand	1218-1226	9	10
β-strand	1232	1	8
β-strand	1233-1242	10	10
β-strand	1250-1257	8	9
β-strand	1265-1272	8	10
β-strand	1279-1285	7	10
α-helix	1291-1298	8
β-strand	1299	1	11
α-helix	1300	1
β-strand	1308	1	12
α-helix	1309-1311	3
α-helix	1315-1318	4
β-strand	1327	1	12
α-helix	1330-1336	7
α-helix	1337-1341	5
β-strand	1346-1349	4	13
α-helix	1357-1370	14
β-strand	1376-1379	4	13
α-helix	1383-1393	11
α-helix	1394-1400	7
β-strand	1405-1407	3	13
α-helix	1412-1421	10
β-strand	1424-1427	4	13
α-helix	1429-1436	8
α-helix	1443-1446	4
β-strand	1450-1453	4	13
α-helix	1456-1460	5
α-helix	1464-1480	17
α-helix	1484-1485	2
β-strand	1486-1491	6	13
β-strand	1494	1	14
α-helix	1497-1504	8
α-helix	1508-1510	3
β-strand	1511-1513	3	13
β-strand	1514	1	11
α-helix	1516-1518	3
β-strand	1523-1530	8	15
α-helix	1535-1541	7
α-helix	1543-1553	11
β-strand	1559-1563	5	15
α-helix	1566-1582	17
β-strand	1590	1	16
α-helix	1594-1601	8
α-helix	1607-1614	8
β-strand	1617-1620	4	15
α-helix	1626-1637	12
β-strand	1641	1	16
β-strand	1643-1647	5	15
α-helix	1648-1650	3
β-strand	1660-1664	5	15
β-strand	1667-1670	4	17
β-strand	1675-1678	4	17
α-helix	1679-1680	2
α-helix	1681-1689	9
β-strand	1700-1707	8	15
α-helix	1708-1717	10
α-helix	1721	1
β-strand	1722	1	14
α-helix	1723	1
α-helix	1728-1730	3
α-helix	1732-1741	10
β-strand	1747	1	18
α-helix	1748-1755	8
α-helix	1759-1766	8
α-helix	1768-1771	4
α-helix	1778-1798	21
β-strand	1802-1805	4	18
β-strand	1809-1812	4	18
α-helix	1814-1821	8
α-helix	1826-1835	10
α-helix	1842-1849	8
α-helix	1853-1857	5
α-helix	1864-1873	10
α-helix	1878-1879	2
α-helix	1887-1899	13
α-helix	1906-1932	27
α-helix	1936-1950	15
α-helix	1959-1962	4
α-helix	1982-1985	4
α-helix	1991-1993	3
α-helix	2002-2011	10
β-strand	2019-2023	5	19
β-strand	2034-2042	9	19
α-helix	2060-2062	3
β-strand	2064-2070	7	20
β-strand	2075-2082	8	20
β-strand	2087-2095	9	19
β-strand	2102-2110	9	20
β-strand	2118-2124	7	20

Chain B: 92 helices, 69 β-strands

Element	Residues	Length	Sheet
α-helix	411-414	4
α-helix	419-421	3
β-strand	435-438	4	21
β-strand	442-447	6	21
α-helix	448-451	4
β-strand	463	1	22
α-helix	464-466	3
α-helix	469-474	6
β-strand	480	1	22
α-helix	483-494	12
β-strand	499-503	5	23
α-helix	510-521	12
β-strand	527	1	24
β-strand	529	1	24
α-helix	533-535	3
β-strand	537-541	5	23
α-helix	545-559	15
α-helix	560-562	3
β-strand	566-568	3	23
α-helix	575-581	7
β-strand	585-588	4	23
α-helix	590-597	8
α-helix	603-606	4
β-strand	609-614	6	23
α-helix	617-621	5
α-helix	625-642	18
β-strand	647-653	7	23
α-helix	658-664	7
β-strand	673-675	3	23
α-helix	678-680	3
β-strand	685-692	8	21
α-helix	698-712	15
β-strand	721-724	4	21
α-helix	728-741	14
α-helix	774-777	4
β-strand	783-785	3	21
α-helix	791-802	12
β-strand	808-811	4	21
α-helix	813-818	6
β-strand	823	1	25
β-strand	825-829	5	21
β-strand	832-835	4	26
β-strand	840-843	4	26
α-helix	844-845	2
α-helix	846-853	8
β-strand	856	1	25
β-strand	858	1	27
β-strand	862	1	27
β-strand	865-872	8	21
α-helix	876-883	8
α-helix	893-906	14
β-strand	912	1	28
α-helix	913-920	8
α-helix	924-931	8
α-helix	940-945	6
α-helix	950-966	17
β-strand	970-972	3	29
β-strand	978	1	28
β-strand	979-981	3	29
α-helix	983-990	8
α-helix	995-1004	10
α-helix	1011-1019	9
α-helix	1022-1024	3
α-helix	1031-1043	13
α-helix	1055-1068	14
α-helix	1075-1102	28
β-strand	1104	1	30
α-helix	1105-1120	16
α-helix	1128-1131	4
α-helix	1137-1145	9
α-helix	1150-1155	6
α-helix	1158-1164	7
α-helix	1168-1170	3
α-helix	1171-1180	10
β-strand	1184-1194	11	31
β-strand	1197-1206	10	31
α-helix	1212-1215	4
β-strand	1218-1226	9	32
β-strand	1232	1	30
β-strand	1233-1242	10	32
β-strand	1250-1257	8	31
β-strand	1265-1272	8	32
β-strand	1279-1285	7	32
α-helix	1291-1300	10
β-strand	1308	1	33
α-helix	1309-1311	3
α-helix	1315-1318	4
β-strand	1327	1	33
α-helix	1330-1334	5
α-helix	1336	1
α-helix	1337-1341	5
β-strand	1346-1349	4	34
α-helix	1357-1370	14
β-strand	1376-1379	4	34
α-helix	1383-1393	11
α-helix	1394-1399	6
β-strand	1405-1407	3	34
α-helix	1412-1421	10
β-strand	1424-1427	4	34
α-helix	1429-1436	8
α-helix	1439-1441	3
α-helix	1443-1446	4
β-strand	1450-1454	5	34
α-helix	1456-1460	5
α-helix	1464-1479	16
α-helix	1484-1485	2
β-strand	1486-1491	6	34
β-strand	1494	1	35
α-helix	1497-1504	8
β-strand	1511-1513	3	34
α-helix	1516-1518	3
β-strand	1523-1530	8	36
α-helix	1535-1541	7
α-helix	1543-1553	11
β-strand	1559-1563	5	36
α-helix	1566-1582	17
β-strand	1590	1	37
α-helix	1594-1601	8
α-helix	1607-1614	8
β-strand	1617-1620	4	36
α-helix	1626-1637	12
β-strand	1641	1	37
β-strand	1643-1647	5	36
α-helix	1648-1650	3
β-strand	1660-1664	5	36
β-strand	1667-1670	4	38
β-strand	1675-1678	4	38
α-helix	1679-1680	2
α-helix	1681-1689	9
β-strand	1700-1707	8	36
α-helix	1708-1717	10
α-helix	1721	1
β-strand	1722	1	35
α-helix	1723	1
α-helix	1728-1730	3
α-helix	1732-1741	10
β-strand	1747	1	39
α-helix	1748-1755	8
α-helix	1759-1766	8
α-helix	1768-1771	4
α-helix	1778-1798	21
β-strand	1802-1805	4	39
β-strand	1809-1812	4	39
α-helix	1814-1821	8
α-helix	1826-1835	10
α-helix	1842-1849	8
α-helix	1853-1855	3
α-helix	1864-1873	10
α-helix	1878-1879	2
α-helix	1887-1899	13
α-helix	1906-1932	27
α-helix	1936-1950	15
α-helix	1959-1962	4
α-helix	2002-2011	10
β-strand	2018-2023	6	40
β-strand	2034-2042	9	40
β-strand	2064-2070	7	41
β-strand	2075-2082	8	41
β-strand	2090-2095	6	40
β-strand	2102-2110	9	41
β-strand	2118-2124	7	41

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
U5 small nuclear ribonucleoprotein 200 kDa helicase	A, B	protein	1738	Homo sapiens	O75643 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5URM_1 U5 small nuclear ribonucleoprotein 200 kDa helicase (chains A, B)
GGSDLDQGGEALAPRQVLDLEDLVFTQGSHFMANKRCQLPDGSFRRQRKGYEEVHVPALK
PKPFGSEEQLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLCAPTGAGKTN
VALMCMLREIGKHINMDGTINVDDFKIIYIAPMRSLVQEMVGSFGKRLATYGITVAELTG
DHQLCKEEISATQIIVCTPEKWDIITRKGGERTYTQLVRLIILDEIHLLHDDRGPVLEAL
VARAIRNIEMTQEDVRLIGLSATLPNYEDVATFLRVDPAKGLFYFDNSFRPVPLEQTYVG
ITEKKAIKRFQIMNEIVYEKIMEHAGKNQVLVFVHSRKETGKTARAIRDMCLEKDTLGLF
LREGSASTEVLRTEAEQCKNLELKDLLPYGFAIHHAGMTRVDRTLVEDLFADKHIQVLVS
TATLAWGVNLPAHTVIIKGTQVYSPEKGRWTELGALDILQMLGRAGRPQYDTKGEGILIT
SHGELQYYLSLLNQQLPIESQMVSKLPDMLNAEIVLGNVQNAKDAVNWLGYAYLYIRMLR
SPTLYGISHDDLKGDPLLDQRRLDLVHTAALMLDKNNLVKYDKKTGNFQVTELGRIASHY
YITNDTVQTYNQLLKPTLSEIELFRVFSLSSEFKNITVREEEKLELQKLLERVPIPVKES
IEEPSAKINVLLQAFISQLKLEGFALMADMVYVTQSAGRLMRAIFEIVLNRGWAQLTDKT
LNLCKMIDKRMWQSMCPLRQFRKLPEEVVKKIEKKNFPFERLYDLNHNEIGELIRMPKMG
KTIHKYVHLFPKLELSVHLQPITRSTLKVELTITPDFQWDEKVHGSSEAFWILVEDVDSE
VILHHEYFLLKAKYAQDEHLITFFVPVFEPLPPQYFIRVVSDRWLSCETQLPVSFRHLIL
PEKYPPPTELLDLQPLPVSALRNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAP
TGSGKTICAEFAILRMLLQSSEGRCVYITPMEALAEQVYMDWYEKFQDRLNKKVVLLTGE
TSTDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLIGGENGPVLEVIC
SRMRYISSQIERPIRIVALSSSLSNAKDVAHWLGCSATSTFNFHPNVRPVPLELHIQGFN
ISHTQTRLLSMAKPVYHAITKHSPKKPVIVFVPSRKQTRLTAIDILTTCAADIQRQRFLH
CTEKDLIPYLEKLSDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLC
WGMNVAAHLVIIMDTQYYNGKIHAYVDYPIYDVLQMVGHANRPLQDDEGRCVIMCQGSKK
DFFKKFLYEPLPVESHLDHCMHDHFNAEIVTKTIENKQDAVDYLTWTFLYRRMTQNPNYY
NLQGISHRHLSDHLSELVEQTLSDLEQSKCISIEDEMDVAPLNLGMIAAYYYINYTTIEL
FSMSLNAKTKVRGLIEIISNAAEYENIPIRHHEDNLLRQLAQKVPHKLNNPKFNDPHVKT
NLLLQAHLSRMQLSAELQSDTEEILSKAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQ
AMWSKDSYLKQLPHFTSEHIKRCTDKGVESVFDIMEMEDEERNALLQLTDSQIADVARFC
NRYPNIELSYEVVDKDSIRSGGPVVVLVQLEREEEVTGPVIAPLFPQKREEGWWVVIGDA
KSNSLISIKRLTLQQKAKVKLDFVAPATGAHNYTLYFMSDAYMGCDQEYKFSVDVKEA

Ligands and cofactors

ID	Name	Formula	Copies
8LV	3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]…	C23 H24 N4 O4 S	2

Primary citation

Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. Iwatani-Yoshihara, M., Ito, M., Klein, M.G. et al. J Med Chem (2017) 60:5759-5771. DOI 10.1021/acs.jmedchem.7b00461 · PubMed

Other PDB entries of the same protein (UniProt O75643 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2Q0Z 2.0 Å, Crystal structure of Q9P172/Sec63 from Homo sapiens. Northeast Structural Genomics…
8BCE 2.05 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 76
8BC9 2.3 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 24
8BCC 2.35 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 39
8BCB 2.38 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 34
8BC8 2.39 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 18
8BCG 2.39 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 86
6S8Q 2.39 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1
9S2E 2.4 Å, Human intron-lariat spliceosome-Aquarius (ILSaqr)
8BCF 2.42 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 78
7BDK 2.52 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and ADP
7BDJ 2.59 Å, Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and mant-ATPgammaS

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