Structure of PDB 3m1p Chain B Binding Site BS01

Receptor Information
>3m1p Chain B (length=152) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFAS
RVAEMVARKEVEFGVLAAGSGIGMSIAANKVPGVRAALCHDHYTAAMSRI
HNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEAS
HA
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 chain3m1p Chain A Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m1p Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H11 R113
Binding residue
(residue number reindexed from 1)		H10 R112
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D10 A69 S71 H102 H138
Catalytic site (residue number reindexed from 1) D9 A68 S70 H101 H137
Enzyme Commision number 5.3.1.6: ribose-5-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0042802 identical protein binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3m1p, PDBe:3m1p, PDBj:3m1p
PDBsum3m1p
PubMed21205211
UniProtQ4CQE2

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