Structure of PDB 2v3w Chain B

Receptor sequence

>2v3wB (length=526) Species: 303 (Pseudomonas putida)

ASVHGTTYELLRRQGIDTVFGNPGSNELPFLKDFPEDFRYILALQEACVV
GIADGYAQASRKPAFINLHSAAGTGNAMGALSNAWNSHSPLIVTAGQQTR
AMIGVEALLTNVDAANLPRPLVKWSYEPASAAEVPHAMSRAIHMASMAPQ
GPVYLSVPYDDWDKDADPQSHHLFDRHVSSSVRLNDQDLDILVKALNSAS
NPAIVLGPDVDAANANADCVMLAERLKAPVWVAPSAPRCPFPTRHPCFRG
LMPAGIAAISQLLEGHDVVLVIGAPVFRYHQYDPGQYLKPGTRLISVTCD
PLEAARAPMGDAIVADIGAMASALANLVEESSRQLPTAAPEPAKVDQDAG
RLHPETVFDTLNDMAPENAIYLNESTSTTAQMWQRLNMRNPGSYYFCAAG
GLGFALPAAIGVQLAEPERQVIAVIGDGSANYSISALWTAAQYNIPTIFV
IMNNGTYGAARWFAGVLEAENVPGLDVPGIDFRALAKGYGVQALKADNLE
QLKGSLQEALSAKGPVLIEVSTVSPV

3D structure

• PDB: 2v3w Rational Protein Design of Thdp-Dependent Enzymes-Engineering Stereoselectivity.
• Chain: B
• Resolution: 2.2 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): N23 G25 S26 N27 E28 E47 H70 L109 L110 T111 N112 Y160 P254 H281 S376 G401 L403 D428 N455 T457 Y458 A460 A461 F464 S525
• Catalytic site (residue number reindexed from 1): N22 G24 S25 N26 E27 E46 H69 L108 L109 T110 N111 Y159 P253 H280 S375 G400 L402 D427 N454 T456 Y457 A459 A460 F463 S524
• Enzyme Commision number: 4.1.1.7: benzoylformate decarboxylase.

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	MG	B	D428 N455 T457	D427 N454 T456
BS02	MG	B	N117 L118 R120	N116 L117 R119
BS03	TPP	B	T377 S378 G401 L403 G427 D428 G429 S430 Y433 N455 T457 Y458 G459 A460	T376 S377 G400 L402 G426 D427 G428 S429 Y432 N454 T456 Y457 G458 A459
BS04	TPP	B	N23 P24 E47 H70	N22 P23 E46 H69

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0003984 acetolactate synthase activity
• GO:0016831 carboxy-lyase activity
• GO:0030976 thiamine pyrophosphate binding
• GO:0046872 metal ion binding
• GO:0050660 flavin adenine dinucleotide binding
• GO:0050695 benzoylformate decarboxylase activity

Biological Process

• GO:0009056 catabolic process
• GO:0018924 mandelate metabolic process
• GO:0019596 mandelate catabolic process
• GO:0019752 carboxylic acid metabolic process

External links

• PDB: RCSB:2v3w, PDBe:2v3w, PDBj:2v3w
• PDBsum: 2v3w
• PubMed: 18224647
• UniProt: P20906|MDLC_PSEPU Benzoylformate decarboxylase (Gene Name=mdlC)