Structure of PDB 3bb8 Chain A Binding Site BS01

Receptor Information
>3bb8 Chain A (length=420) Species: 633 (Yersinia pseudotuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQEELRQQIAELVAQYAETAMAPKPFEAGKSVVPPSGKVIGTKELQLMVE
ASLDGWLTTGRFNDAFEKKLGEYLGVPYVLTTTSGSSANLLALTALTSPK
LGVRALKPGDEVITVAAGFPTTVNPTIQNGLIPVFVDVDIPTYNVNASLI
EAAVSDKTKAIMIAHTLGNLFDLAEVRRVADKYNLWLIEDCCDALGSTYD
GKMAGTFGDIGTVSFYPAKHITMGEGGAVFTQSAELKSIIESFRDWGRDC
QLGSLPFGYDHKYTYSHLGYNLKITDMQAACGLAQLERIEEFVEKRKANF
KYLKDALQSCADFIELPEATENSDPSWFGFPITLKEDSGVSRIDLVKFLD
EAKVGTRLLFAGNLTRQPYFHDVKYRVVGELTNTDRIMNQTFWIGIYPGL
THDHLDYVVSKFEEFFGLNF
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 chain3bb8 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bb8 E1 Dehydrase H220K Mutant
Resolution2.35 Å
Binding residue
(original residue number in PDB)		S85 G86 S87 F120 T122 D191 C193 D194 S215 K220
Binding residue
(residue number reindexed from 1)		S84 G85 S86 F119 T121 D190 C192 D193 S214 K219
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F120 D191 D194 Y217 K220 Y280 K290
Catalytic site (residue number reindexed from 1) F119 D190 D193 Y216 K219 Y263 K273
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000271 polysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3bb8, PDBe:3bb8, PDBj:3bb8
PDBsum3bb8
PubMed
UniProtQ57323

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