Structure of PDB 7l7x Chain BBB Binding Site BS02

Receptor Information
>7l7x Chain BBB (length=395) Species: 335284 (Psychrobacter cryohalolentis K5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFSPWPSFTQIEADAVSRVLLSNQVNYWTGQECRQFETEFAEWADSKYAI
AMGNGTLALDVALQALDIGAGDEVIVTPRTFIASISSVVNIGATPVFSDV
DEATGNITPESIAAVLTDKTKGIVCVHLAGWPCDMDGIMALADKHNLYVI
EDCAQAHGATYKGRSVGSIGHIGAWSFCQDKIMTTGGEGGMVTTNDEQLW
RKMWAYKDHGKSYAAVYETDHAPGYRWLHESFGTNWRMTEMQAVLGRIQL
KRMPDWTAKRTANAQTILDACAKWEAKGYLSVPRLEESVQFADSTHAYYK
LYVYVQSDNLPKEWSRDRIIREINDLGVPCFSGSASEVYLEKAFDNTGLR
PENRLPVAKQLGETSLMFLVHPTLTEDEIKQTVQAIDGVFANIHN
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain7l7x Chain BBB Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7l7x Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		N58 G59 T60 F85 D156 A158 Q159 S180 C182 K185
Binding residue
(residue number reindexed from 1)		N54 G55 T56 F81 D152 A154 Q155 S176 C178 K181
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000271 polysaccharide biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7l7x, PDBe:7l7x, PDBj:7l7x
PDBsum7l7x
PubMed33639157
UniProtQ1QD32

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