Structure of PDB 5ch7 Chain E Binding Site BS01

Receptor Information
>5ch7 Chain E (length=892) Species: 640081 (Azospira oryzae PS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFEYSGWENFHRTQWSWDKKTRGAHLVNCTGACPHFVYSKDGVVMREEQS
KDIAPMPNIPEYNPRGCNKGECGHDYMYGPHRIKYPLIRVGERGEGKWRR
ATWEEALDMIADKCVDTIKNHAPDCISVYSPVPAVSPVSFSAGHRFAHYI
GAHAHTFYDWYGDHPTGQTQTCGVQGDTCETADWFNSKYIILWGSNPTQT
RIPDAHFLSEAQLNGAKIVSISPDYNSSTIKVDKWIHPQPGTDGALAMAM
AHVIIKEKLYDAHSLKEQTDLSYLVRSDTKRFLREADVVAGGSKDKFYFW
NAKTGKPVIPKGSWGDQPEKKGSPVGFLGRNTFAFPKGYIDLGDLDPALE
GKFNMQLLDGKTVEVRPVFEILKSRLMADNTPEKAAKITGVTAKAITELA
REFATAKPSMIICGGGTQHWYYSDVLLRAMHLLTALTGTEGTNGGGMNHY
IGQWKPAFVAGLVALAFPEGVNKQRFCQTTIWTYIHAEVNDEIISSDIDT
EKYLRDSITTGQMPNMPEQGRDPKVFFVYRGNWLNQAKGQKYVLENLWPK
LELIVDINIRMDSTALYSDVVLPSAHWYEKLDLNVTSEHSYINMTEPAIK
PMWESKTDWQIFLALAKRVEMAAKRKKYEKFNDEKFKWVRDLSNLWNQMT
MDGKLAEDEAAAQYILDNAPQSKGITIQMLREKPQRFKSNWTSPLKEGVP
YTPFQYFVVDKKPWPTLTGRQQFYLDHDTFFDMGVELPTYKAPIDADKYP
FRFNSPHSRHSVHSTFKDNVLMLRLQRGGPSIEMSPLDAKPLGIKDNDWV
EAWNNHGKVICRVKIRNGEQRGRVSMWHCPELYMDLLTGGSQSVCPVRIN
PTNLVGNYGHLFFRPNYYGPAGSQRDVRVNVKRYIGATPISF
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 E 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)		H25 C29 G31 C33 G66 C67 G70
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) K69 P131 P133 W160 Y161 D163 P165 Y450 Q453
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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