Structure of PDB 4col Chain B Binding Site BS05

Receptor Information
>4col Chain B (length=593) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVQYSFEREFEELMSDLLSKYGYEMFQMDGLGDQLDVVKFTEDFVRTNI
STYFIEISKPHTYLYSLYRIWQKMKEMFGKGVADEFVEAQINGAVYLHDR
HHAALMPYCFAYTLKPIVEKGLPFIKTIKSEPAKHLSTFIQHVIQFVMFA
SNQSSGAVGLPDFFVWMWYFVKKDLKEGIIPRDKLDWYIEQHFQILTYSL
NQPIRTTQSPYTNFTYLDRNYIKAIFEGERYPDGSLITDHVEDIIALQKH
YWEWVSRERERQMFTFPVLTASLLYKDGKFLDEDSARFINKINMKWQDTN
WYISDSIDAVASCCEKLKGRMNSIGGSDLNIGSFKVITVNLPRIALESGG
DREKYLQILRHRVQLIKKALAAVREIIKERISEGLLPLYENGLMLLNRQY
GTIGVTGVWESASIMGLTTEDIDGLKYTEEGEVFVDNVLDTIREEAEKGY
HEYGFTFNIEQVPAEKAAVTLAQKDRFLFGEKQPFEIYSNQWVPLMANTD
VLNRIRYSGKWDKKVSGGAILHINLKTEEESFNMVKMIADMGVMYFAFNT
KISVCEDGHAFYGERCPVCGKAKVDEYMRIVGYLVPVSAFNKE
Ligand information
Ligand IDSFO
InChIInChI=1S/H4O3S/c1-4(2)3/h4H2,(H2,1,2,3)
InChIKeyBESWYMJGRRXSAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7O[SH](=O)O
CACTVS 3.385O[SH](O)=O
FormulaH3 O3 S
NameSULFONIC ACID
ChEMBL
DrugBank
ZINC
PDB chain4col Chain B Residue 1633 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4col The Crystal Structure of Thermotoga Maritima Class III Ribonucleotide Reductase Lacks a Radical Cysteine Pre-Positioned in the Active Site.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		H114 D115 K501
Binding residue
(residue number reindexed from 1)		H98 D99 K466
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:4col, PDBe:4col, PDBj:4col
PDBsum4col
PubMed26147435
UniProtQ9WYL6

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