Structure of PDB 3aes Chain C Binding Site BS01

Receptor Information
>3aes Chain C (length=414) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFGCTDSPVRRERGQKAVFCGLTSIVWLHRKMQDAFFLVVGSRTCAHLLQ
AAAGVMIFAEPRFGTAVLEEQDLAGLADAHKELDREVAKLLERRPDIRQL
FLVGSCPSEVLKLDLDRAAERLSGLHAPHVRVYSYTGSGLDTTFTQGEDT
CLAAMVPTLDTTEAAELIVVGALPDVVEDQCLSLLTQLGVGPVRMLPARR
SDIEPAVGPNTRFILAQPFLGETTGALERRGAKRIAAPFPFGEEGTTLWL
KAVADAYGVSAEKFEAVTAAPRARAKKAIAAHLETLTGKSLFMFPDSQLE
IPLARFLARECGMKTTEIATPFLHKAIMAPDLALLPSNTALTEGQDLEAQ
LDRHEAINPDLTVCGLGLANPLEAKGHATKWAIELVFTPVHFYEQAGDLA
GLFSRPLRRRALLN
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 chain3aes Chain C Residue 425 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aes X-ray crystal structure of the light-independent protochlorophyllide reductase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C26 L28 C51 S111 C112 G145
Binding residue
(residue number reindexed from 1)		C20 L22 C45 S105 C106 G139
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.7.7: ferredoxin:protochlorophyllide reductase (ATP-dependent).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016491 oxidoreductase activity
GO:0016636 oxidoreductase activity, acting on the CH-CH group of donors, iron-sulfur protein as acceptor
GO:0016730 oxidoreductase activity, acting on iron-sulfur proteins as donors
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process
GO:0019685 photosynthesis, dark reaction
GO:0030494 bacteriochlorophyll biosynthetic process
GO:0036070 light-independent bacteriochlorophyll biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3aes, PDBe:3aes, PDBj:3aes
PDBsum3aes
PubMed20400946
UniProtP26164|BCHN_RHOCB Light-independent protochlorophyllide reductase subunit N (Gene Name=bchN)

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