Structure of PDB 4xjl Chain B

Receptor sequence

>4xjlB (length=429) Species: 83332 (Mycobacterium tuberculosis H37Rv)

LTPEQIIAVDGAHLWHPYSSIGREAVSPVVAVAAHGAWLTLIRDGQPIEV
LDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLL
VDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGY
HGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQL
AQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIA
TGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISA
GAAGALMHGPTFMANPLACAVSVASVELLLGQDWRTRITELAAGLTAGLD
TARALPAVTDVRVCGAIGVIECDRPVDLAVATPAALDRGVWLRPFRNLVY
AMPPYICTPAEITQITSAMVEVARLVGSL

3D structure

• PDB: 4xjl Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
• Chain: B
• Resolution: 1.85 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y25 Y157 E220 D254 A257 K283 Y407
• Catalytic site (residue number reindexed from 1): Y18 Y150 E213 D247 A250 K276 Y400
• Enzyme Commision number: 2.6.1.62: adenosylmethionine--8-amino-7-oxononanoate transaminase.

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	PLP	B	P317 T318	P310 T311
BS02	41F	B	P24 Y25 W64 Y157 C168 G172 G173 A226	P17 Y18 W57 Y150 C161 G165 G166 A219
BS03	41F	B	G93 G316 P317 T318	G86 G309 P310 T311
BS04	PLP	B	G124 S125 Y157 H158 G159 E220 D254 I256 K283	G117 S118 Y150 H151 G152 E213 D247 I249 K276

Gene Ontology

Molecular Function

• GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009102 biotin biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4xjl, PDBe:4xjl, PDBj:4xjl
• PDBsum: 4xjl
• UniProt: P9WQ81|BIOA_MYCTU Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (Gene Name=bioA)