Structure of PDB 3i5t Chain B Binding Site BS02

Receptor Information
>3i5t Chain B (length=442) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVGAAMRDHILLPAQEMAKLGKSAQPVLTHAEGIYVHTEDGRRLIDGPAG
MWCAQVGYGRREIVDAMAHQAMVLPYASPWYMATSPAARLAEKIATLTPG
DLNRIFFTTGGSTAVDSALRFSEFYNNVLGRPQKKRIIVRYDGYHGSTAL
TAACTGRTGNWPNFDIAQDRISFLSSPNPRHAGNRSQEAFLDDLVQEFED
RIESLGPDTIAAFLAEPILASGGVIIPPAGYHARFKAICEKHDILYISDE
VVTGFGRCGEWFASEKVFGVVPDIITFAKGVTSGYVPLGGLAISEAVLAR
ISGENAKGSWFTNGYTYSNQPVACAAALANIELMEREGIVDQAREMADYF
AAALASLRDLPGVAETRSVGLVGCVQCLLGTAEDKAFTLKIDERCFELGL
IVRPLGDLCVISPPLIISRAQIDEMVAIMRQAITEVSAAHGL
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain3i5t Chain B Residue 474 [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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PDB3i5t CRYSTAL STRUCTURE OF AMINOTRANSFERASE PRK07036 FROM Rhodobacter sphaeroides
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G120 S121 Y153 H154 E225 D258 V260 K288
Binding residue
(residue number reindexed from 1)		G111 S112 Y144 H145 E216 D249 V251 K279
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A23 Y153 E225 D258 V261 K288 V425
Catalytic site (residue number reindexed from 1) A14 Y144 E216 D249 V252 K279 V410
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:3i5t, PDBe:3i5t, PDBj:3i5t
PDBsum3i5t
PubMed
UniProtQ3IWE9

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