Structure of PDB 6y9c Chain A Binding Site BS03

Receptor Information
>6y9c Chain A (length=365) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVEKLPEDFCANPDVAWTFPKVFYTSSQVFEHEKEAIFAKSWICVAHGSE
LAQPNDYITRKVIGENIVIIRGKDSVLRAFYNVCPHRGHELLSGSGKAKN
VITCPYHAWTFKLDGSLALARNCDHVESFDKENSSMVPLKVEEYAGFVFI
NMDENATCVEDQLPGFAERLNQACGVIKDLKLAARFVTETPANWKVIVDN
YMECYHAGPAHPGFADSVQVDKYWHTTHQNWTLQYGFARSSEKSFKLTDP
EFHGFWTWPCTMFNVPPGSNFMTVIYEFPVDAETTLQHYDIYFTNEELTQ
DQKDLIEWYRNVFRPEDLNLVESVQRGLKSRGYRGQGRIMTDKQRSGISE
HGIAYFQHLVAQYHQ
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6y9c Chain A Residue 404 [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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PDB6y9c Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C86 H88 R89 H91 C106 Y108 H109 W111
Binding residue
(residue number reindexed from 1)		C84 H86 R87 H89 C104 Y106 H107 W109
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H109 E205 H208 H213
Catalytic site (residue number reindexed from 1) H107 E203 H206 H211
Enzyme Commision number 1.14.13.239: carnitine monooxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009437 carnitine metabolic process
GO:0044237 cellular metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6y9c, PDBe:6y9c, PDBj:6y9c
PDBsum6y9c
PubMed36617384
UniProtD0C9N6|CNTA_ACIB2 Carnitine monooxygenase oxygenase subunit (Gene Name=cntA)

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