Structure of PDB 6zxx Chain B Binding Site BS02

Receptor Information
>6zxx Chain B (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]
AQISMRLYSNRDRPNHLGPLALERLARVDDVVAQPARQPEDGFAASEDSL
LGDVEEYARLFTRFLDGPVAPLGDAIPDDPARRAENLKASAYFLDASMVG
ICRLDPDDRAGDCDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTD
MRCAEIAAILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVL
VAPFLRRGFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGW
EDAEEEKRPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEA
GDLGEKAKQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDL
SDPGRNAEAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYA
VVMLIDQGYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYS
ARSHSNAHSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSKSIVFTTDL
PMSVDRPIDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVE
KCTKYRVTQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAII
AMDDALQNGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDANQKLAM
YPPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKSSA
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 chain6zxx Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zxx Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		C522 P523 C548 R552 C561 C564
Binding residue
(residue number reindexed from 1)		C526 P527 C552 R556 C565 C568
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:6zxx, PDBe:6zxx, PDBj:6zxx
PDBsum6zxx
PubMed32887524
UniProtK2MB66

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