5URJ: Human BRR2

Crystal structure of human BRR2 in complex with T-3905516. Determined by X-ray diffraction at 2.75 Å resolution. Released 19 Jul 2017.

Method: X-ray diffraction
Resolution: 2.75 Å
Organism: Homo sapiens
Chains: 1
Atoms: 13,745
Mol. weight: 199.17 kDa
Ligands: 8LS
Released: 19 Jul 2017

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

Secondary structure: helices and β-sheets

5URJ contains 88 α-helices and 63 β-strands across 1 chain. 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: 88 helices, 63 β-strands

Element	Residues	Length	Sheet
α-helix	411-414	4
α-helix	419-421	3
β-strand	436-438	3	1
β-strand	442-447	6	1
α-helix	448-455	8
α-helix	469-471	3
α-helix	483-494	12
β-strand	499-502	4	2
α-helix	510-521	12
β-strand	537-541	5	2
α-helix	545-559	15
α-helix	560-562	3
β-strand	566-568	3	2
β-strand	585-588	4	2
α-helix	590-598	9
α-helix	603-606	4
β-strand	609-614	6	2
α-helix	617-621	5
α-helix	625-642	18
β-strand	647-652	6	2
α-helix	658-664	7
β-strand	673-675	3	2
α-helix	678-680	3
β-strand	685-692	8	1
α-helix	697-713	17
β-strand	721-724	4	1
α-helix	730-742	13
α-helix	761-766	6
α-helix	774-777	4
β-strand	782-785	4	1
α-helix	792-802	11
β-strand	808-811	4	1
α-helix	814-818	5
β-strand	823	1	3
β-strand	825-829	5	1
β-strand	832-835	4	4
β-strand	840-843	4	4
α-helix	844-845	2
α-helix	846-853	8
β-strand	856	1	3
β-strand	865-872	8	1
α-helix	878-883	6
α-helix	893-907	15
β-strand	912	1	5
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	6
β-strand	978	1	5
β-strand	979-981	3	6
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	1055-1067	13
α-helix	1075-1101	27
β-strand	1104	1	7
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	1171-1178	8
β-strand	1184-1194	11	8
β-strand	1197-1206	10	8
α-helix	1212-1215	4
β-strand	1218-1226	9	9
β-strand	1232	1	7
β-strand	1233-1242	10	9
β-strand	1250-1257	8	8
β-strand	1265-1272	8	9
β-strand	1279-1285	7	9
α-helix	1293-1302	10
β-strand	1308	1	10
α-helix	1309-1311	3
α-helix	1315-1318	4
β-strand	1327	1	10
α-helix	1330-1336	7
α-helix	1337-1341	5
β-strand	1346-1349	4	11
α-helix	1357-1370	14
β-strand	1376-1379	4	11
α-helix	1383-1393	11
α-helix	1394-1400	7
β-strand	1405-1407	3	11
α-helix	1412-1421	10
β-strand	1424-1427	4	11
α-helix	1429-1436	8
α-helix	1443-1446	4
β-strand	1450-1453	4	11
α-helix	1456-1460	5
α-helix	1464-1481	18
β-strand	1486-1491	6	11
α-helix	1493	1
β-strand	1494	1	12
α-helix	1497-1504	8
β-strand	1511-1513	3	11
α-helix	1516-1518	3
β-strand	1523-1530	8	13
α-helix	1535-1541	7
α-helix	1543-1553	11
β-strand	1559-1563	5	13
α-helix	1566-1581	16
β-strand	1590	1	14
α-helix	1594-1601	8
α-helix	1607-1614	8
β-strand	1617-1620	4	13
α-helix	1626-1638	13
β-strand	1641	1	14
β-strand	1643-1647	5	13
α-helix	1648-1651	4
β-strand	1660-1664	5	13
β-strand	1667-1670	4	15
β-strand	1675-1678	4	15
α-helix	1679-1680	2
α-helix	1681-1689	9
β-strand	1700-1707	8	13
α-helix	1708-1710	3
α-helix	1711-1717	7
β-strand	1722	1	12
α-helix	1728-1730	3
α-helix	1732-1741	10
β-strand	1747	1	16
α-helix	1748-1754	7
α-helix	1759-1766	8
α-helix	1768-1770	3
α-helix	1778-1798	21
β-strand	1802-1805	4	16
β-strand	1809-1812	4	16
α-helix	1814-1822	9
α-helix	1826-1835	10
α-helix	1842-1850	9
α-helix	1853-1857	5
α-helix	1865-1872	8
α-helix	1887-1900	14
α-helix	1906-1932	27
α-helix	1941-1950	10
α-helix	1959-1962	4
α-helix	1968-1975	8
α-helix	1991-1994	4
α-helix	2001-2011	11
β-strand	2017-2023	7	17
β-strand	2034-2043	10	17
β-strand	2064-2070	7	18
β-strand	2075-2082	8	18
β-strand	2087-2095	9	17
β-strand	2104-2110	7	18
β-strand	2118-2122	5	18

Molecules and chains

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

Sequence of entity 1 (A), FASTA

>5URJ_1 U5 small nuclear ribonucleoprotein 200 kDa helicase (chains A)
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
8LS	6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-…	C29 H25 F N4 O3	1

Water and common crystallization additives (GOL) are not listed.

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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