Structure of PDB 2q85 Chain A

Receptor sequence

>2q85A (length=341) Species: 562 (Escherichia coli)

NHSLKPWNTFGIDHNAQHIVCAEDEQQLLNAWQYATAEGQPVLILGEGSN
VLFLEDYRGTVIINRIKGIEIHDEPDAWYLHVGAGENWHRLVKYTLQEGM
PGLENLALIPGCVGSSPIQNIGAYGVELQRVCAYVDSVELATGKQVRLTA
KECRFGYRDSIFKHEYQDRFAIVAVGLRLPKEWQPVLTYGDLTRLDPTTV
TPQQVFNAVCHMRTTKLPDPKVNGNAGSFFKNPVVSAETAKALLSQFPTA
PNYPQADGSVKLAAGWLIDQCQLKGMQIGGAAVHRQQALVLINEDNAKSE
DVVQLAHHVRQKVGEKFNVWLEPEVRFIGASGEVSAVETIS

3D structure

• PDB: 2q85 Crystal Structure of E. Coli Mur B bound to a napthyl tetronic acid inhibitor
• Chain: A
• Resolution: 2.51 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R159 S229 E325
• Catalytic site (residue number reindexed from 1): R158 S228 E324
• Enzyme Commision number: 1.3.1.98: UDP-N-acetylmuramate dehydrogenase.

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	973	A	Y190 L218 G228 S229 N233 Y254 Q288 L290 V291	Y189 L217 G227 S228 N232 Y253 Q287 L289 V290	BindingDB: IC50=28600nM
BS02	FAD	A	I45 G47 E48 G49 S50 N51 V52 P111 G112 C113 S116 I119 I122 G123 R159 A172 I173 R214 N226 A227 G228 R327 E334	I44 G46 E47 G48 S49 N50 V51 P110 G111 C112 S115 I118 I121 G122 R158 A171 I172 R213 N225 A226 G227 R326 E333

Gene Ontology

Molecular Function

• GO:0008762 UDP-N-acetylmuramate dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0050660 flavin adenine dinucleotide binding
• GO:0071949 FAD binding

Biological Process

• GO:0008360 regulation of cell shape
• GO:0009252 peptidoglycan biosynthetic process
• GO:0051301 cell division
• GO:0071555 cell wall organization

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2q85, PDBe:2q85, PDBj:2q85
• PDBsum: 2q85
• UniProt: P08373|MURB_ECOLI UDP-N-acetylenolpyruvoylglucosamine reductase (Gene Name=murB)