Structure of PDB 9jdw Chain A Binding Site BS01
Receptor Information
>9jdw Chain A (length=360) Species:
9606
(Homo sapiens) [
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CPVSSYNEWDPLEEVIVGRAENACVPPFTIEVKANTYEKYWPFYQKQGGH
YFPKDHLKKAVAEIEEMCNILKTEGVTVRRPDPIDWSLKYKTPDFESTGL
YSAMPRDILIVVGNEIIEAPMAWRSRFFEYRAYRSIIKDYFHRGAKWTTA
PKPTMADELYNQDYPIHSVEDRHKLAAQGKFVTTEFEPCFDAADFIRAGR
DIFAQRSQVTNYLGIEWMRRHLAPDYRVHIISFKDPNPMHIDATFNIIGP
GIVLSNPDRPCHQIDLFKKAGWTIITPPTPIIPDDHPLWMSSKWLSMNVL
MLDEKRVMVDANEVPIQKMFEKLGITTIKVNIRNANSLGGGFHCWTCDVR
RRGTLQSYLD
Ligand information
Ligand ID
ABA
InChI
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
QWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
CCC(C(=O)O)N
OpenEye OEToolkits 1.7.6
CC[C@@H](C(=O)O)N
CACTVS 3.385
CC[C@H](N)C(O)=O
CACTVS 3.385
CC[CH](N)C(O)=O
ACDLabs 12.01
O=C(O)C(N)CC
Formula
C4 H9 N O2
Name
ALPHA-AMINOBUTYRIC ACID
ChEMBL
CHEMBL1230782
DrugBank
ZINC
ZINC000000901351
PDB chain
9jdw Chain A Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
9jdw
The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
M302 A306 R322 S354 S355
Binding residue
(residue number reindexed from 1)
M239 A243 R259 S291 S292
Annotation score
2
Enzymatic activity
Catalytic site (original residue number in PDB)
E71 D170 D254 H303 D305 N361 H406 C407
Catalytic site (residue number reindexed from 1)
E8 D107 D191 H240 D242 N298 H343 C344
Enzyme Commision number
2.1.4.1
: glycine amidinotransferase.
Gene Ontology
Molecular Function
GO:0005515
protein binding
GO:0015067
amidinotransferase activity
GO:0015068
glycine amidinotransferase activity
GO:0016740
transferase activity
Biological Process
GO:0006600
creatine metabolic process
GO:0006601
creatine biosynthetic process
GO:0007611
learning or memory
GO:0014889
muscle atrophy
GO:0120162
positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005743
mitochondrial inner membrane
GO:0005758
mitochondrial intermembrane space
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:9jdw
,
PDBe:9jdw
,
PDBj:9jdw
PDBsum
9jdw
PubMed
9915841
UniProt
P50440
|GATM_HUMAN Glycine amidinotransferase, mitochondrial (Gene Name=GATM)
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