Structure of PDB 6cbk Chain C Binding Site BS01

Receptor Information
>6cbk Chain C (length=410) Species: 1906 (Streptomyces fradiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLAEFPTCPRDEKDRPRVFTAASGAWLTDESGFRWIDFDNARGSILLGH
GDPVVAEAVARAATGADGTATGWSRRVDAVLERLHALCGGEVVGLFRSGT
AAVRAAVLAVREATGRPLLLSAGYHGYDPMWYPSEAPLEPNADGVVDFFF
DLGLLRELLRAPERVAAVVVSPDHMHLSPGWYRELRRLCSAAGVVLVADE
VKVGLRYAPGLSTAELLAPDVWVVAKGMANGHAVSAVGGSRRLLKPLKEV
SFTSFFEPTILAAADAALARVATGEPQRAVREAGDRFLRHARKALDDASL
PVEIAGDGTFFQFVPATEELEEALYGAANAEGLLFYAGDNQGVSAAFDEA
VLGEAERRFARVCERLAPYAGGEPVGDAARYRVAWNVMDGLRQAPRDREE
TTGLLARLLD
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 chain6cbk Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cbk The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		G104 T105 Y129 H130 G131 S176 D204 V206 K231
Binding residue
(residue number reindexed from 1)		G99 T100 Y124 H125 G126 S171 D199 V201 K226
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y129 D204 K231
Catalytic site (residue number reindexed from 1) Y124 D199 K226
Enzyme Commision number 2.6.1.93: neamine transaminase.
2.6.1.95: neomycin C transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:1901158 neomycin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6cbk, PDBe:6cbk, PDBj:6cbk
PDBsum6cbk
PubMed29516565
UniProtQ53U08|NEON_STRFR Neamine transaminase NeoN (Gene Name=neoN)

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