Structure of PDB 3efs Chain A

Receptor sequence

>3efsA (length=232) Species: 63363 (Aquifex aeolicus)

FKNLIWLKEVDSTQERLKEWNVSYGTALVADRQTKGRGRLGRKWLSQEGG
LYFSFLLNPKEFENLLQLPLVLGLSVSEALEEITEIPFSLKWPNDVYFQE
KKVSGVLRELSKDKLIVGIGINVNQREIPEEIKDRATTLYEITGKDWDRK
EVLLKVLKRISENLKKFKEKSFKEFKGKIESKMLYLGEEVKLLGEGKITG
KLVGLSEKGGALILTEEGIKEILSGEFSLRRS

3D structure

• PDB: 3efs Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
• Chain: A
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R40 K103 R231
• Catalytic site (residue number reindexed from 1): R39 K102 R230
• Enzyme Commision number: 6.3.4.15: biotin--[biotin carboxyl-carrier protein] ligase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ATP	A	R40 R43 W45 L46 K92 K103 N123 S229 L230 R231	R39 R42 W44 L45 K91 K102 N122 S228 L229 R230	MOAD: Kd=7.2uM PDBbind-CN: -logKd/Ki=5.34,Kd=4.6uM
BS02	BTN	A	S13 T14 Q15 Q34 G37 R38 R40 W45 Y53 L108 G119 I120 G121	S12 T13 Q14 Q33 G36 R37 R39 W44 Y52 L107 G118 I119 G120	MOAD: Kd=3.5uM
BS03	ATP	A	K192 S233	K191 S232	MOAD: Kd=7.2uM PDBbind-CN: -logKd/Ki=5.34,Kd=4.6uM

Gene Ontology

Molecular Function

• GO:0004077 biotin--[biotin carboxyl-carrier protein] ligase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity

Biological Process

• GO:0036211 protein modification process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3efs, PDBe:3efs, PDBj:3efs
• PDBsum: 3efs
• PubMed: 19385043
• UniProt: O66837