Structure of PDB 6zy1 Chain C Binding Site BS02

Receptor Information
>6zy1 Chain C (length=695) Species: 391937 (Nitratireductor pacificus pht-3B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QISMRLYSNRDRPNHLGPLALERLARVDDVVAQPARQPEDGFAASEDSLL
GDVEEYARLFTRFLDGPVAPLGDAIPDDPARRAENLKASAYFLDASMVGI
CRLDPGDCDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTDMRCAE
IAAILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVLVAPFL
RRGFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGWEDAEE
EKRPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEAGDLGE
KAKQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDLSDPGR
NAEAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYAVVMLI
DQGYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYSARSHS
NAHSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSKSIVFTTDLPMSVD
RPIDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVEKCTKY
RVTQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAIIAMDDA
LQNGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDRGDKIGANQKLA
MYPPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKSS
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 chain6zy1 Chain C Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zy1 Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		C522 P523 I527 C548 C561 C564
Binding residue
(residue number reindexed from 1)		C521 P522 I526 C547 C560 C563
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6zy1, PDBe:6zy1, PDBj:6zy1
PDBsum6zy1
PubMed32887524
UniProtK2MB66

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