Structure of PDB 1uu1 Chain A Binding Site BS03

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 B 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)		Y53 F231
Binding residue
(residue number reindexed from 1)		Y48 F226
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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