Structure of PDB 2gmj Chain A Binding Site BS01

Receptor Information
>2gmj Chain A (length=581) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CKVPRITTHYTIYPRDQDKRWEGVNMERFAEEADVVIVGAGPAGLSAATR
LKQLAAQHEKDLRVCLVEKAAHIGAHTLSGACLDPRAFEELFPDWKEKGA
PLNTPVTEDRFGILTEKYRIPVPILPGLPMNNHGNYVVRLGHLVSWMGEQ
AEALGVEVYPGYAAAEILFHEDGSVKGIATNDVGIQKDGAPKTTFERGLE
LHAKVTIFAEGCHGHLAKQLYKKFDLRANCEPQTYGIGLKELWVIDEKKW
KPGRVDHTVGWPLDRHTYGGSFLYHLNEGEPLLALGFVVGLDYQNPYLSP
FREFQRWKHHPSIKPTLEGGKRIAYGARALNEGGFQSIPKLTFPGGLLIG
CSPGFMNVPKIKGTHTAMKSGTLAAESIFNQLTSENLQSKTIGLHVTEYE
DNLKNSWVWKELYSVRNIRPSCHGILGVYGGMIYTGIFYWIFRGMEPWTL
KHKGSDSDQLKPAKDCTPIEYPKPDGQISFDLLSSVALSGTNHEHDQPAH
LTLKDDSVPVNRNLSIYDGPEQRFCPAGVYEFVPLEQGDGFRLQINAQNC
VHCKTCDIKDPSQNINWVVPEGGGGPAYNGM
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 chain2gmj Chain A Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gmj Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L504 C528 P529 V532 C553 V554 C556 K557 T558 C559 W570
Binding residue
(residue number reindexed from 1)		L501 C525 P526 V529 C550 V551 C553 K554 T555 C556 W567
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S82 R331 T367 C528 C553 C556 C559
Catalytic site (residue number reindexed from 1) S79 R328 T364 C525 C550 C553 C556
Enzyme Commision number 1.5.5.1: electron-transferring-flavoprotein dehydrogenase.
Gene Ontology
Molecular Function
GO:0004174 electron-transferring-flavoprotein dehydrogenase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006979 response to oxidative stress
GO:0022900 electron transport chain
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2gmj, PDBe:2gmj, PDBj:2gmj
PDBsum2gmj
PubMed17050691
UniProtP55931|ETFD_PIG Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial (Gene Name=ETFDH)

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