Structure of PDB 5ch7 Chain A Binding Site BS01

Receptor Information
>5ch7 Chain A (length=894) Species: 640081 (Azospira oryzae PS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGAFEYSGWENFHRTQWSWDKKTRGAHLVNCTGACPHFVYSKDGVVMREE
QSKDIAPMPNIPEYNPRGCNKGECGHDYMYGPHRIKYPLIRVGERGEGKW
RRATWEEALDMIADKCVDTIKNHAPDCISVYSPVPAVSPVSFSAGHRFAH
YIGAHAHTFYDWYGDHPTGQTQTCGVQGDTCETADWFNSKYIILWGSNPT
QTRIPDAHFLSEAQLNGAKIVSISPDYNSSTIKVDKWIHPQPGTDGALAM
AMAHVIIKEKLYDAHSLKEQTDLSYLVRSDTKRFLREADVVAGGSKDKFY
FWNAKTGKPVIPKGSWGDQPEKKGSPVGFLGRNTFAFPKGYIDLGDLDPA
LEGKFNMQLLDGKTVEVRPVFEILKSRLMADNTPEKAAKITGVTAKAITE
LAREFATAKPSMIICGGGTQHWYYSDVLLRAMHLLTALTGTEGTNGGGMN
HYIGQWKPAFVAGLVALAFPEGVNKQRFCQTTIWTYIHAEVNDEIISSDI
DTEKYLRDSITTGQMPNMPEQGRDPKVFFVYRGNWLNQAKGQKYVLENLW
PKLELIVDINIRMDSTALYSDVVLPSAHWYEKLDLNVTSEHSYINMTEPA
IKPMWESKTDWQIFLALAKRVEMAAKRKKYEKFNDEKFKWVRDLSNLWNQ
MTMDGKLAEDEAAAQYILDNAPQSKGITIQMLREKPQRFKSNWTSPLKEG
VPYTPFQYFVVDKKPWPTLTGRQQFYLDHDTFFDMGVELPTYKAPIDADK
YPFRFNSPHSRHSVHSTFKDNVLMLRLQRGGPSIEMSPLDAKPLGIKDND
WVEAWNNHGKVICRVKIRNGEQRGRVSMWHCPELYMDLLTGGSQSVCPVR
INPTNLVGNYGHLFFRPNYYGPAGSQRDVRVNVKRYIGATPISF
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5ch7 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ch7 Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H32 C36 G38 C40 G73 C74 G77
Binding residue
(residue number reindexed from 1)		H27 C31 G33 C35 G68 C69 G72
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K76 P138 P140 W167 Y168 D170 P172 Y457 Q460
Catalytic site (residue number reindexed from 1) K71 P133 P135 W162 Y163 D165 P167 Y452 Q455
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
GO:0045333 cellular respiration
Cellular Component
GO:0016020 membrane
GO:1990204 oxidoreductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ch7, PDBe:5ch7, PDBj:5ch7
PDBsum5ch7
PubMed26940877
UniProtG8QM55

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