Structure of PDB 1a82 Chain A Binding Site BS02

Receptor Information
>1a82 Chain A (length=224) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKRYFVTGTDTEVGKTVASCALLQAAKAAGYRTAGYKPVASGSEKTPEGL
RNSDALALQRNSSLQLDYATVNPYTFAEPTSPHIISAQEGRPIESLVMSA
GLRALEQQADWVLVEGAGGWFTPLSDTFTFADWVTQEQLPVILVVGVKLG
CINHAMLTAQVIQHAGLTLAGWVANDVTPPGKRHAEYMTTLTRMIPAPLL
GEIPWLAENPENAATGKYINLALL
Ligand information
Ligand IDDNN
InChIInChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyKCEGBPIYGIWCDH-JGVFFNPUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CCCCCC(=O)O)N)N
CACTVS 3.341C[CH](N)[CH](N)CCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCC(N)C(N)C
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)N)N
CACTVS 3.341C[C@H](N)[C@H](N)CCCCCC(O)=O
FormulaC9 H20 N2 O2
Name7,8-DIAMINO-NONANOIC ACID
ChEMBL
DrugBankDB01715
ZINCZINC000019364244
PDB chain1a82 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a82 Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T11 S41 P79 G118
Binding residue
(residue number reindexed from 1)		T11 S41 P79 G118
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T11 E12 K15 T16 K37 S41 D54 E115
Catalytic site (residue number reindexed from 1) T11 E12 K15 T16 K37 S41 D54 E115
Enzyme Commision number 6.3.3.3: dethiobiotin synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004141 dethiobiotin synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0009102 biotin biosynthetic process
Cellular Component
GO:0005737 cytoplasm
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:1a82, PDBe:1a82, PDBj:1a82
PDBsum1a82
PubMed9576910
UniProtP13000|BIOD1_ECOLI ATP-dependent dethiobiotin synthetase BioD 1 (Gene Name=bioD1)

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