2AYL: Prostaglandin G/H synthase 1

2.0 Angstrom Crystal Structure of Manganese Protoporphyrin IX-reconstituted Ovine Prostaglandin H2 Synthase-1 Complexed With Flurbiprofen. Determined by X-ray diffraction at 2.0 Å resolution. Released 24 Jan 2006.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Ovis aries
Chains: 2
Atoms: 10,505
Mol. weight: 135.84 kDa
Ligands: BOG, FLP, MNH
Released: 24 Jan 2006

Explore 2AYL in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2AYL contains 90 α-helices and 60 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: 45 helices, 31 β-strands

Element	Residues	Length	Sheet
α-helix	35-38	4
α-helix	45	1
β-strand	46-50	5	1
β-strand	54-58	5	1
β-strand	64-65	2	2
β-strand	71-72	2	2
α-helix	74-82	9
α-helix	83-85	3
α-helix	86-93	8
α-helix	97-103	7
α-helix	108-121	14
β-strand	130-131	2	3
α-helix	139-143	5
β-strand	147	1	4
β-strand	149-150	2	3
α-helix	153-156	4
β-strand	161	1	5
β-strand	164	1	5
α-helix	171-173	3
α-helix	174-181	8
β-strand	183	1	6
β-strand	189	1	7
β-strand	194	1	8
β-strand	195	1	9
α-helix	196-206	11
β-strand	212	1	10
β-strand	220	1	4
β-strand	221	1	10
α-helix	231-234	4
α-helix	238-244	7
β-strand	245	1	11
α-helix	251	1
β-strand	252	1	11
α-helix	253	1
β-strand	255-257	3	12
β-strand	260-262	3	12
α-helix	263-264	2
β-strand	265	1	13
α-helix	281-283	3
β-strand	285	1	13
α-helix	292-294	3
α-helix	296-319	24
α-helix	325-343	19
α-helix	344-348	5
α-helix	349-353	5
α-helix	363-366	4
β-strand	378	1	3
α-helix	379-384	6
α-helix	388-390	3
β-strand	395-397	3	14
β-strand	400-402	3	14
α-helix	404-407	4
α-helix	413-428	16
β-strand	430	1	9
α-helix	431	1
β-strand	432	1	7
α-helix	433	1
β-strand	440	1	6
α-helix	442-444	3
α-helix	445-458	14
α-helix	460-461	2
β-strand	462	1	15
α-helix	463-469	7
α-helix	473-475	3
α-helix	478-482	5
α-helix	486-495	10
α-helix	498-500	3
β-strand	502	1	15
α-helix	503-509	7
α-helix	511-513	3
α-helix	520-535	16
α-helix	538-540	3
α-helix	547-550	4
α-helix	553-560	8
α-helix	564-569	6
β-strand	581	1	8

Chain B: 45 helices, 29 β-strands

Element	Residues	Length	Sheet
α-helix	1035-1038	4
α-helix	1045	1
β-strand	1046-1050	5	16
β-strand	1054-1058	5	16
β-strand	1064-1065	2	17
β-strand	1071-1072	2	17
α-helix	1074-1082	9
α-helix	1083-1085	3
α-helix	1086-1093	8
α-helix	1097-1104	8
α-helix	1108-1121	14
β-strand	1130-1131	2	18
α-helix	1139-1143	5
β-strand	1147	1	19
β-strand	1149-1150	2	18
α-helix	1153-1156	4
β-strand	1161	1	20
β-strand	1164	1	20
α-helix	1171-1173	3
α-helix	1174-1181	8
β-strand	1183	1	21
β-strand	1189	1	22
β-strand	1194	1	23
β-strand	1195	1	24
α-helix	1196-1206	11
β-strand	1212	1	25
β-strand	1220	1	19
β-strand	1221	1	25
α-helix	1231-1234	4
α-helix	1238-1244	7
β-strand	1245	1	26
α-helix	1251	1
β-strand	1252	1	26
α-helix	1253	1
β-strand	1255-1257	3	27
β-strand	1260-1262	3	27
α-helix	1263-1264	2
β-strand	1265	1	28
α-helix	1281-1283	3
β-strand	1285	1	28
α-helix	1292-1294	3
α-helix	1296-1319	24
α-helix	1325-1343	19
α-helix	1344-1348	5
α-helix	1349-1353	5
α-helix	1363-1366	4
β-strand	1378	1	18
α-helix	1379-1384	6
α-helix	1388-1390	3
β-strand	1395-1397	3	29
β-strand	1400-1402	3	29
α-helix	1404-1407	4
α-helix	1413-1428	16
β-strand	1430	1	24
α-helix	1431	1
β-strand	1432	1	22
α-helix	1433	1
β-strand	1440	1	21
α-helix	1442-1444	3
α-helix	1445-1457	13
α-helix	1460-1462	3
α-helix	1463-1469	7
α-helix	1473-1475	3
α-helix	1478-1482	5
α-helix	1486-1495	10
α-helix	1498-1500	3
α-helix	1503-1509	7
α-helix	1511-1513	3
α-helix	1520-1535	16
α-helix	1538-1540	3
α-helix	1547-1550	4
α-helix	1553-1560	8
α-helix	1564-1569	6
β-strand	1581	1	23

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Prostaglandin G/H synthase 1	A, B	protein	553	Ovis aries	P05979 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2AYL_1 Prostaglandin G/H synthase 1 (chains A, B)
PVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHF
LLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRI
LPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFK
TSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPV
LMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQT
ARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLM
PDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDV
IKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEK
CHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLN
TKTCPYVSFHVPD

Ligands and cofactors

ID	Name	Formula	Copies
BOG	octyl beta-D-glucopyranoside	C14 H28 O6	7
FLP	Flurbiprofen	C15 H13 F O2	2
MNH	Manganese protoporphyrin IX	C34 H32 Mn N4 O4	2

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

Primary citation

2.0 angstroms structure of prostaglandin H2 synthase-1 reconstituted with a manganese porphyrin cofactor. Gupta, K., Selinsky, B.S., Loll, P.J. Acta Crystallogr D Biol Crystallogr (2006) 62:151-156. DOI 10.1107/S0907444905036309 · PubMed

Other PDB entries of the same protein (UniProt P05979 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1Q4G 2.0 Å, 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in complex with…
4O1Z 2.4 Å, Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam
3N8Y 2.6 Å, Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac
1EQG 2.61 Å, The 2.6 Å model of ovine cox-1 complexed with ibuprofen
1HT8 2.69 Å, The 2.7 Å resolution model of ovine cox-1 complexed with alclofenac
1EQH 2.7 Å, The 2.7 Å model of ovine cox-1 complexed with flurbiprofen
2OYU 2.7 Å, Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
1HT5 2.75 Å, The 2.75 Å resolution model of ovine cox-1 complexed with methyl ester flurbiprofen
3KK6 2.75 Å, Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
3N8W 2.75 Å, Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with…
3N8X 2.75 Å, Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide
5WBE 2.75 Å, Cox-1:MOFEZOLAC complex structure

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