Structure of PDB 1h7b Chain A Binding Site BS01

Receptor Information
>1h7b Chain A (length=534) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSRVFPTQRDLMAGIVSKHIAKNMVPSFIMKAHESGIIHVHDIDYSPALP
FTNCCLVDLKGMLENGFKLGNAQIETPKSIGVATAIMAQITAQVASHQYG
GTTFANVDKVLSPYVKRTYAKHIEDAEKWQIADALNYAQSKTEKDVYDAF
QAYEYEVNTLFSSNGQTPFVTITFGTGTDWTERMIQKAILKNRIKGLGRD
GITPIFPKLVMFVEEGVNLYKDDPNYDIKQLALECASKRMYPDIISAKNN
KAITGSSVPVSPMGCRSFLSVWKDSTGNEILDGRNNLGVVTLNLPRIALD
SYIGTQFNEQKFVELFNERMDLCFEALMCRISSLKGVKATVAPILYQEGA
FGVRLKPDDDIIELFKNGRSSVSLGYIGIHELNILVGRDIGREILTKMNA
HLKQWTERTGFAFSLYSTPAENLCYRFCKLDTEKYGSVKDVTDKGWYTNS
FHVSVEENITPFEKISREAPYHFIATGGHISYVELPDMKNNLKGLEAVWD
YAAQHLDYFGVNMPVDKCMNTIRRTCAYLGNPNE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1h7b Chain A Residue 1588 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h7b Structural Basis for Allosteric Substrate Specificty Regulation in Anaerobic Ribonucleotide Reductase
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H66 A445 N447 L448
Binding residue
(residue number reindexed from 1)		H41 A420 N422 L423
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N78 C79 M288 C290 S292 N311 Y441 E446 A580
Catalytic site (residue number reindexed from 1) N53 C54 M263 C265 S267 N286 Y416 E421 A527
Enzyme Commision number 1.1.98.6: ribonucleoside-triphosphate reductase (formate).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
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:1h7b, PDBe:1h7b, PDBj:1h7b
PDBsum1h7b
PubMed11587648
UniProtP07071|NRDD_BPT4 Anaerobic ribonucleoside-triphosphate reductase (Gene Name=nrdD)

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