Structure of PDB 2f06 Chain A Binding Site BS01

Receptor Information
>2f06 Chain A (length=144) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMVAKQLSIFLENKSGRLTEVTEVLAKENINLSALCIAENADFGILRG
IVSDPDKAYKALKDNHFAVNITDVVGISCPNVPGALAKVLGFLSAEGVFI
EYMYSFANNNVANVVIRPSNMDKCIEVLKEKKVDLLAASDLYKL
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain2f06 Chain A Residue 152 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2f06 Crystal structure of protein BT0572 from Bacteroides thetaiotaomicron
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P77 V79 L83 A109
Binding residue
(residue number reindexed from 1)		P80 V82 L86 A112
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links