Structure of PDB 4wz7 Chain A Binding Site BS02

Receptor Information

>4wz7 Chain A (length=628) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAALAIAGNCAAAAA
AAAAPVASCAAAAAPGMVVAAAAAAAAAAAENVMEMMLAAACAACAAGGA
CAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACIHCTRCVRFAND
IAGAAAAAAAAAGAAAAAGAAAAAGAAAGAAGAAAAACAAGAAAAAAAAA
AAAAAAAAAGAAAAAAAAAVMAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAA

Ligand information

InChI=1S/4Fe.4S

LJBDFODJNLIPKO-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2

Formula

Fe4 S4

Name

IRON/SULFUR CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

4wz7 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4wz7 Structural biology. Mechanistic insight from the crystal structure of mitochondrial complex I.
Resolution	3.6 Å
Binding residue (original residue number in PDB)	C133 C136 A137 C142 X235
Binding residue (residue number reindexed from 1)	C92 C95 A96 C101 X190
Annotation score	4

External links

PDB	RCSB:4wz7, PDBe:4wz7, PDBj:4wz7
PDBsum	4wz7
PubMed	25554780

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