Structure of PDB 5ch7 Chain C Binding Site BS01

Receptor Information
>5ch7 Chain C (length=891) Species: 640081 (Azospira oryzae PS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEYSGWENFHRTQWSWDKKTRGAHLVNCTGACPHFVYSKDGVVMREEQSK
DIAPMPNIPEYNPRGCNKGECGHDYMYGPHRIKYPLIRVGERGEGKWRRA
TWEEALDMIADKCVDTIKNHAPDCISVYSPVPAVSPVSFSAGHRFAHYIG
AHAHTFYDWYGDHPTGQTQTCGVQGDTCETADWFNSKYIILWGSNPTQTR
IPDAHFLSEAQLNGAKIVSISPDYNSSTIKVDKWIHPQPGTDGALAMAMA
HVIIKEKLYDAHSLKEQTDLSYLVRSDTKRFLREADVVAGGSKDKFYFWN
AKTGKPVIPKGSWGDQPEKKGSPVGFLGRNTFAFPKGYIDLGDLDPALEG
KFNMQLLDGKTVEVRPVFEILKSRLMADNTPEKAAKITGVTAKAITELAR
EFATAKPSMIICGGGTQHWYYSDVLLRAMHLLTALTGTEGTNGGGMNHYI
GQWKPAFVAGLVALAFPEGVNKQRFCQTTIWTYIHAEVNDEIISSDIDTE
KYLRDSITTGQMPNMPEQGRDPKVFFVYRGNWLNQAKGQKYVLENLWPKL
ELIVDINIRMDSTALYSDVVLPSAHWYEKLDLNVTSEHSYINMTEPAIKP
MWESKTDWQIFLALAKRVEMAAKRKKYEKFNDEKFKWVRDLSNLWNQMTM
DGKLAEDEAAAQYILDNAPQSKGITIQMLREKPQRFKSNWTSPLKEGVPY
TPFQYFVVDKKPWPTLTGRQQFYLDHDTFFDMGVELPTYKAPIDADKYPF
RFNSPHSRHSVHSTFKDNVLMLRLQRGGPSIEMSPLDAKPLGIKDNDWVE
AWNNHGKVICRVKIRNGEQRGRVSMWHCPELYMDLLTGGSQSVCPVRINP
TNLVGNYGHLFFRPNYYGPAGSQRDVRVNVKRYIGATPISF
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 C 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)		H24 C28 G30 C32 G65 C66 G69
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) K68 P130 P132 W159 Y160 D162 P164 Y449 Q452
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

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

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