Structure of PDB 6zur Chain B Binding Site BS01

Receptor Information
>6zur Chain B (length=398) Species: 408968 (Psychrobacter sp. B6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFERIDYYAGDPILGLVEKFAADNNPDKVNLGIGIYYDESGVMPVLDCVK
IAEQRIADPISPRPYLPMAGLPGHRKGCQELLFGKDAPVLKDGLVATIAT
IGGSGALKVGAEFIHEWFPQSKCYVSDPTWGNHIAIFEGCDIEVGKYPYY
DTATGGIKFDEMIAFFETLNKDDVLLLHPCCHNPTGVDLTREQWDTVLNV
IQERELIPFMDIAYQGFGEDMDSDAYAIRKAVDMGLPLFVSNSFSKNLSL
YGERVGGLSVVCPTVDETERVFGQLNSTVRRIYSSPPSHGGRVVDIVMND
AALHEQWVGEVYAMRDRIKSMRTKLKSVLEAKISGRNFDYLTAQNGMFSF
TGLTPEQVERLQSEFGIYMISNSRMCVAGLNSSNIDYVANAMVDVLKD
Ligand information
Ligand IDTYF
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyJVGVDSSUAVXRDY-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(O)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1C[C@@H](C(=O)O)O)O
CACTVS 3.385O[C@@H](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1CC(C(=O)O)O)O
CACTVS 3.385O[CH](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H10 O4
Name(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
ChEMBLCHEMBL1162490
DrugBank
ZINCZINC000000402937
PDB chain6zur Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zur Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		I13 G34 R374
Binding residue
(residue number reindexed from 1)		I13 G34 R374
Annotation score3
Enzymatic activity
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004838 L-tyrosine-2-oxoglutarate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process
GO:0033585 L-phenylalanine biosynthetic process from chorismate via phenylpyruvate
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zur, PDBe:6zur, PDBj:6zur
PDBsum6zur
PubMed34204354
UniProtC7E5X4

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