Structure of PDB 4qij Chain I

Receptor sequence
>4qijI (length=298) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
DNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTV
DELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQ
YASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLH
VVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLG
RTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFN
LLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF
3D structure
PDB4qij Ligand-dependent active-site closure revealed in the crystal structure of Mycobacterium tuberculosis MenB complexed with product analogues
ChainI
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G105 R110 Y115 R130 H135 G161 S164 D185 S190 D192 G193 A279 Y287
Catalytic site (residue number reindexed from 1) G89 R94 Y99 R114 H119 G145 S148 D169 S174 D176 G177 A263 Y271
Enzyme Commision number 4.1.3.36: 1,4-dihydroxy-2-naphthoyl-CoA synthase.
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 1HA I E56 V57 R58 A60 K95 S103 G104 G105 D106 Q107 Y115 I136 L137 W157 G160 G161 T184 D185 V188 S190 F191 E40 V41 R42 A44 K79 S87 G88 G89 D90 Q91 Y99 I120 L121 W141 G144 G145 T168 D169 V172 S174 F175 MOAD: Kd=2.9uM
BS02 1HA I F299 K302 F283 K286 MOAD: Kd=2.9uM
Gene Ontology
Molecular Function
GO:0008935 1,4-dihydroxy-2-naphthoyl-CoA synthase activity
GO:0016829 lyase activity
Biological Process
GO:0009234 menaquinone biosynthetic process
GO:0034214 protein hexamerization
Cellular Component
GO:0005886 plasma membrane

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Cellular Component
External links
PDB RCSB:4qij, PDBe:4qij, PDBj:4qij
PDBsum4qij
PubMed25372686
UniProtP9WNP5|MENB_MYCTU 1,4-dihydroxy-2-naphthoyl-CoA synthase (Gene Name=menB)

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