Structure of PDB 4mv7 Chain A Binding Site BS01

Receptor Information
>4mv7 Chain A (length=414) Species: 71421 (Haemophilus influenzae Rd KW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEKVVIANRGEIALRILRACKELGIKTVAVHSTADRDLKHVLLADETIC
IGPAPSAKSYLNIPAIIAAAEVTGADAIHPGYGFLSENADFAEQVERSGF
TFIGPTADVIRLMGDKVSAIKAMKKAGVPCVPGSAKNKEIAKRIGYPIII
RVVRSEDALEESIAMTKAEMEKYLENPRHVEIQVLADTHGNAVYLAERDC
SMQRRHQKVVEEAPAPGITEEVRRDIGSRCANACVEIGYRGAGTFEFLYE
NGEFYFIEMNTRIQVEHPVTEMITGVDLVKEQLRIAAGLPISFKQEDIKV
KGHAMECRINAEDPKTFLPSPGKVNHLHSPGGLGVRWDSHVYGGYTVPPH
YDSMIAKLITYGDTREVAIRRMQNALSETIIDGIKTNIPLHELILEDENF
QKGGTNIHYLEKKL
Ligand information
Ligand IDPPF
InChIInChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
InChIKeyZJAOAACCNHFJAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)[P](O)(O)=O
ACDLabs 10.04O=C(O)P(=O)(O)O
OpenEye OEToolkits 1.5.0C(=O)(O)P(=O)(O)O
FormulaC H3 O5 P
NamePHOSPHONOFORMIC ACID
ChEMBLCHEMBL666
DrugBankDB00529
ZINCZINC000008101109
PDB chain4mv7 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4mv7 Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		K238 R292 Q294 V295 E296 R338
Binding residue
(residue number reindexed from 1)		K208 R262 Q264 V265 E266 R308
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K116 H209 R235 T274 E276 E288 N290 R292 E296 R338
Catalytic site (residue number reindexed from 1) K116 H179 R205 T244 E246 E258 N260 R262 E266 R308
Enzyme Commision number 6.3.4.14: biotin carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003989 acetyl-CoA carboxylase activity
GO:0004075 biotin carboxylase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:2001295 malonyl-CoA biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4mv7, PDBe:4mv7, PDBj:4mv7
PDBsum4mv7
PubMed26020841
UniProtP43873|ACCC_HAEIN Biotin carboxylase (Gene Name=accC)

[Back to BioLiP]