Structure of PDB 6zxx Chain A Binding Site BS01

Receptor Information
>6zxx Chain A (length=700) 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
CRLDPDDRAGDCDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTDM
RCAEIAAILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVLV
APFLRRGFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGWE
DAEEEKRPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEAG
DLGEKAKQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDLS
DPGRNAEAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYAV
VMLIDQGYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYSA
RSHSNAHSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSKSIVFTTDLP
MSVDRPIDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVEK
CTKYRVTQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAIIA
MDDALQNGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDRGDKIGAN
QKLAMYPPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKSSA
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 A Residue 701 [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)		R473 L479 F511 C512 C515 C518 C568 P569
Binding residue
(residue number reindexed from 1)		R476 L482 F514 C515 C518 C521 C571 P572
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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