Structure of PDB 1ltz Chain A Binding Site BS02

Receptor Information
>1ltz Chain A (length=274) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVVPDITTRKNVGLSHDANDFTLPQPLDRYSAEDHATWATLYQRQCKLLP
GRACDEFLEGLERLEVDADRVPDFNKLNEKLMAATGWKIVAVPGLIPDDV
FFEHLANRRFPVTWWLREPHQLDYLQEPDVFHDLFGHVPLLINPVFADYL
EAYGKGGVKAKALGALPMLARLYWYTVEFGLINTPAGMRIYGAGILSSKS
ESIYCLDSASPNRVGFDLMRIMNTRYRIDTFQKTYFVIDSFKQLFDADFA
PLYLQLADAQPWGAGDIAPDDLVL
Ligand information
Ligand IDHBI
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKeyFEMXZDUTFRTWPE-DZSWIPIPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
CACTVS 3.341C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
ACDLabs 10.04O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
CACTVS 3.341C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O
FormulaC9 H13 N5 O3
Name7,8-DIHYDROBIOPTERIN
ChEMBL
DrugBankDB04400
ZINCZINC000018181336
PDB chain1ltz Chain A Residue 500 [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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PDB1ltz Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		I102 D104 F107 Y179
Binding residue
(residue number reindexed from 1)		I96 D98 F101 Y173
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H138 H143 E184 S203
Catalytic site (residue number reindexed from 1) H132 H137 E178 S197
Enzyme Commision number 1.14.16.1: phenylalanine 4-monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004505 phenylalanine 4-monooxygenase activity
GO:0005506 iron ion binding
GO:0016714 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced pteridine as one donor, and incorporation of one atom of oxygen
GO:0046872 metal ion binding
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0009072 aromatic amino acid metabolic process
GO:0019293 tyrosine biosynthetic process, by oxidation of phenylalanine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ltz, PDBe:1ltz, PDBj:1ltz
PDBsum1ltz
PubMed12096915
UniProtP30967|PH4H_CHRVO Phenylalanine-4-hydroxylase (Gene Name=phhA)

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