Structure of PDB 4u3e Chain A Binding Site BS01

Receptor Information
>4u3e Chain A (length=637) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLVGSHMKVQYSFEREFEELMSDLLSKYGYEMFQMDGLGDQLDVVKFTE
DFVRRGIIESTIDANANVRVTNISTYFIEISKPHTYLYSLYRIWQKMKEM
FGKGVADEFVEAQINGAVYLHDRHHAALMPYCFAYTLKPIVEKGLPFIKT
IKSEPAKHLSTFIQHVIQFVMFASNQSSGAVGLPDFFVWMWYFVKKDLKE
GIIPRDKLDWYIEQHFQILTYSLNQPIRTTQSPYTNFTYLDRNYIKAIFE
GERYPDGSLITDHVEDIIALQKHYWEWVSRERERQMFTFPVLTASLLYKD
GKFLDEDSARFINKINMKWQDTNWYISDSIDAVASCEKLKGRMNSIGGSD
LNIGSFKVITVNLPRIALESGGDREKYLQILRHRVQLIKKALAAVREIIK
ERISEGLLPLYENGLMLLNRQYGTIGVTGVWESASIMGLTTEDIDGLKYT
EEGEVFVDNVLDTIREEAEKGYHEYGFTFNIEQVPAEKAAVTLAQKDRFL
FGEKQPFEIYSNQWVPLMANTDVLNRIRYSGKWDKKVSGGAILHINLGES
FKTEEESFNMVKMIADMGVMYFAFNTKISVCEDGHAFYGERCPVCGKAKV
DEYMRIVGYLVPVSAFNKERREIEYPRRQFYDSLTIR
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 chain4u3e Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4u3e The class III ribonucleotide reductase from Neisseria bacilliformis can utilize thioredoxin as a reductant.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		C594 H598 C605 C608
Binding residue
(residue number reindexed from 1)		C581 H585 C592 C595
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:4u3e, PDBe:4u3e, PDBj:4u3e
PDBsum4u3e
PubMed25157154
UniProtQ9WYL6

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