Structure of PDB 1uu1 Chain A Binding Site BS02

Receptor Information
>1uu1 Chain A (length=329) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIAKRAYPYETEKRDKTYLALNENPFPFPEDLVDEVFRRLNSDALRIYYD
SPDEELIEKILSYLDTDFLSKNNVSVGNGADEIIYVMMLMFDRSVFFPPT
YSCYRIFAKAVGAKFLEVPLTKDLRIPEVNVGEGDVVFIPNPNNPTGHVF
EREEIERILKTGAFVALDEAYYEFHGESYVDFLKKYENLAVIRTFSKAFS
LAAQRVGYVVASEKFIDAYNRVRLPFNVSYVSQMFAKVALDHREIFEERT
KFIVEERERMKSALREMGYRITDSRGNFVFVFMEKEEKERLLEHLRTKNV
AVRSFREGVRITIGKREENDMILRELEVF
Ligand information
Ligand IDHSA
InChIInChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1
InChIKeyCWNDERHTHMWBSI-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CC(COP(=O)(O)O)N
CACTVS 3.341N[C@H](CO[P](O)(O)=O)Cc1c[nH]cn1
CACTVS 3.341N[CH](CO[P](O)(O)=O)Cc1c[nH]cn1
ACDLabs 10.04O=P(O)(O)OCC(N)Cc1ncnc1
FormulaC6 H12 N3 O4 P
NamePHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
ChEMBL
DrugBankDB03997
ZINCZINC000002042976
PDB chain1uu1 Chain A Residue 1336 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uu1 Structural Studies of the Catalytic Reaction Pathway of a Hyperthermophilic Histidinol-Phosphate Aminotransferase
Resolution2.38 Å
Binding residue
(original residue number in PDB)		D86 Y106 S107 N149 R315
Binding residue
(residue number reindexed from 1)		D81 Y101 S102 N144 R310
Annotation score5
Enzymatic activity
Enzyme Commision number 2.6.1.9: histidinol-phosphate transaminase.
Gene Ontology
Molecular Function
GO:0004400 histidinol-phosphate transaminase activity
GO:0008483 transaminase activity
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1uu1, PDBe:1uu1, PDBj:1uu1
PDBsum1uu1
PubMed15007066
UniProtQ9X0D0|HIS8_THEMA Histidinol-phosphate aminotransferase (Gene Name=hisC)

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