Structure of PDB 2gqn Chain A

Receptor sequence
>2gqnA (length=391) Species: 562 (Escherichia coli) [Search protein sequence]
KLDTQLVNAGRSKKYTLGAVNSVIQRASSLVFDSVEAKKHATRNRANGEL
FYGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHV
LMTNTAYEPSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLE
SPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVS
IQAATKYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSR
GLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDF
TGSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEH
IAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV
3D structure
PDB2gqn Inhibitors of Bacterial Cystathionine beta-Lyase: Leads for New Antimicrobial Agents and Probes of Enzyme Structure and Function.
ChainA
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R58 Y111 D185 K210
Catalytic site (residue number reindexed from 1) R54 Y107 D181 K206
Enzyme Commision number 4.4.1.13: cysteine-S-conjugate beta-lyase.
4.4.1.28: L-cysteine desulfidase.
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 BLP A C85 G86 A87 Y111 E112 D185 A207 T209 K210 M219 Y338 S339 W340 R372 C81 G82 A83 Y107 E108 D181 A203 T205 K206 M215 Y334 S335 W336 R368 PDBbind-CN: -logKd/Ki=5.35,IC50=4.5uM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008784 alanine racemase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0047804 cysteine-S-conjugate beta-lyase activity
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0009086 methionine biosynthetic process
GO:0019346 transsulfuration
GO:0019450 L-cysteine catabolic process to pyruvate
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gqn, PDBe:2gqn, PDBj:2gqn
PDBsum2gqn
PubMed17300162
UniProtP06721|METC_ECOLI Cystathionine beta-lyase MetC (Gene Name=metC)

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