Structure of PDB 4r5m Chain B

Receptor sequence
>4r5mB (length=369) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence]
MRVGLVGWRGMVGSVLMQRMVEERDFDLIEPVFFSTSQIGVPAPNFGKDA
GMLHDAFDIESLKQLDAVITCQGGSYTEKVYPALRQAGWKGYWIDAASTL
RMDKEAIITLDPVNLKQILHGIHHGTKTFVGGNCTVSLMLMALGGLYERG
LVEWMSAMTYQAASGAGAQNMRELISQMGVINDAVSSELANPASSILDID
KKVAETMRSGSFPTDNFGVPLAGSLIPWIDVKRDNGQSKEEWKAGVEANK
ILGLQDSPVPIDGTCVRIGAMRCHSQALTIKLKQNIPLDEIEEMIATHND
WVKVIPNERDITARELTPAKVTGTLSVPVGRLRKMAMGDDFLNAFTVGDQ
LLWGAAEPLRRTLRIILAE
3D structure
PDB4r5m A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
ChainB
Resolution1.89 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C134 Q161 R267 H274
Catalytic site (residue number reindexed from 1) C134 Q161 R267 H274
Enzyme Commision number 1.2.1.11: aspartate-semialdehyde 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 NAP B G7 R9 G10 M11 V12 T36 Q72 G165 G7 R9 G10 M11 V12 T36 Q72 G165
BS02 4NO B G74 A96 A97 S98 R101 G74 A96 A97 S98 R101 MOAD: Ki=0.076mM
Gene Ontology
Molecular Function
GO:0004073 aspartate-semialdehyde dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0046983 protein dimerization activity
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009086 methionine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009097 isoleucine biosynthetic process
GO:0019877 diaminopimelate biosynthetic process
GO:0071266 'de novo' L-methionine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4r5m, PDBe:4r5m, PDBj:4r5m
PDBsum4r5m
PubMed25478842
UniProtQ9KQG2|DHAS1_VIBCH Aspartate-semialdehyde dehydrogenase 1 (Gene Name=asd1)

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