Structure of PDB 7cnr Chain C Binding Site BS01

Receptor Information

>7cnr Chain C (length=386) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MYLTKEEELILAGEYGYALQKAMEILVALGDIYGADRLIPIKSAQVAGVS
YKNIGDAGIEFLRDFVEAGAKVSVYTTLNPAGIGDDEFMEKQMEVLELYR
KMGIEVTSTCTPYYGANLPKFGDHIAWSESSAVSFANSILGARTNREGGP
SSLAAAIVGKTPNYGLHLDENRKATVIVDVKAKVKTFADYSVLGYHVGKT
LGNDVPYFKNLKPEKTEFLKELGAAMGATGSIALYHVEGETPEYREAITD
KLETITVEDSDLKAVRESFQDDWSDIDMILIGCPHASLPEVKEIAELLRM
RGKPLKIPLFITASRAVKALADALGYTEIIERYNGKIIPDSCFVVSPIKG
WYRGIATNSGKSAFYFRSFGFSVRLDDVENLIKEAP

Ligand information

InChI=1S/3Fe.4S

FCXHZBQOKRZXKS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7	S1[Fe]2S[Fe]3[S]2[Fe]1S3

Formula

Fe3 S4

Name

FE3-S4 CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

7cnr Chain C Residue 401 [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	7cnr Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Resolution	3.39 Å
Binding residue (original residue number in PDB)	P80 C110 E129 S131 C283 P284 C342 V344 K361
Binding residue (residue number reindexed from 1)	P80 C110 E129 S131 C283 P284 C342 V344 K361
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016829	lyase activity
GO:0046872	metal ion binding
GO:0051539	4 iron, 4 sulfur cluster binding

	Biological Process
GO:0008299	isoprenoid biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:7cnr, PDBe:7cnr, PDBj:7cnr
PDBsum	7cnr
PubMed	34099860
UniProt	Q5JGJ6

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