Structure of PDB 4coi Chain B Binding Site BS01

Receptor Information
>4coi Chain B (length=611) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVQYSFEREFEELMSDLLSKYGYEMFQMDGLGDQLDVVKFTEDFVRRGI
IESTIDVTNISTYFIEISKPHTYLYSLYRIWQKMKEMFGKGVADEFVEAQ
INGAVYLHDRHHAALMPYCFAYTLKPIVEKGLPFIKTIKSEPAKHLSTFI
QHVIQFVMFASNQSSGAVGLPDFFVWMWYFVKKDLKEGIIPRDKLDWYIE
QHFQILTYSLNQPIRTTQSPYTNFTYLDRNYIKAIFEGERYPDGSLITDH
VEDIIALQKHYWEWVSRERERQMFTFPVLTASLLYKDGKFLDEDSARFIN
KINMKWQDTNWYISDSIDAVASCCEKLKGRMNSIGGSDLNIGSFKVITVN
LPRIALESGGDREKYLQILRHRVQLIKKALAAVREIIKERISEGLLPLYE
NGLMLLNRQYGTIGVTGVWESASIMGLTTEDIDGLKYTEEGEVFVDNVLD
TIREEAEKGYHEYGFTFNIEQVPAEKAAVTLAQKDRFLFGEKQPFEIYSN
QWVPLMANTDVLNRIRYSGKWDKKVSGGAILHINLKTEEESFNMVKMIAD
MGVMYFAFNTKISVCEDGHAFYGERCPVCGKAKVDEYMRIVGYLVPVSAF
NKERREIEYPR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4coi Chain B Residue 652 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4coi The Crystal Structure of Thermotoga Maritima Class III Ribonucleotide Reductase Lacks a Radical Cysteine Pre-Positioned in the Active Site.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		C594 H598 C605 C608
Binding residue
(residue number reindexed from 1)		C565 H569 C576 C579
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.4.2: ribonucleoside-triphosphate reductase (thioredoxin).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
GO:0008998 ribonucleoside-triphosphate reductase (thioredoxin) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0009265 2'-deoxyribonucleotide biosynthetic process
Cellular Component
GO:0031250 anaerobic ribonucleoside-triphosphate reductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4coi, PDBe:4coi, PDBj:4coi
PDBsum4coi
PubMed26147435
UniProtQ9WYL6

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