Structure of PDB 6vwf Chain B

Receptor sequence
>6vwfB (length=450) Species: 9606 (Homo sapiens) [Search protein sequence]
MSTGTFVVSQPLNYRGGARVEPADASGTEKAFEPATGRVIATFTCSGEKE
VNLAVQNAKAAFKIWSQKSGMERCRILLEAARIIREREDEIATMECINNG
KSIFEARLDIDISWQCLEYYAGLAASMAGEHIQGGSFGYTRREPLGVCVG
IGAWNYPFQIASWKSAPALACGNAMVFKPSPFTPVSALLLAEIYSEAGVP
PGLFNVVQGGAATGQFLCQHPDVAKVSFTKSPLIIFSDCDMNNAVKGALM
ANFLTQGQVCCNGTRVFVQKEILDKFTEEVVKQTQRIKIGDPLLEDTRMG
PLINRPHLERVLGFVKVAKEQGAKVLCGGDIYVPEDPKLKDGYYMRPCVL
TNCRDDMTCVKEEIFGPVMSILSFDTEAEVLERANDTTFGLAAGVFTRDI
QRAHRVVAELQAGTCFINNYFGRENGRVTIEYYSQLKTVCVEMGDVESAF
3D structure
PDB6vwf Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1.
ChainB
Resolution2.64 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N157 C288 E468
Catalytic site (residue number reindexed from 1) N155 C260 E424
Enzyme Commision number 1.2.1.19: aminobutyraldehyde dehydrogenase.
1.2.1.3: aldehyde dehydrogenase (NAD(+)).
1.2.1.46: formaldehyde dehydrogenase.
1.2.1.47: 4-trimethylammoniobutyraldehyde 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 NAD B I153 G154 K180 A213 G216 I151 G152 K178 A211 G214
Gene Ontology
Molecular Function
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0018467 formaldehyde dehydrogenase (NAD+) activity
GO:0019145 aminobutyraldehyde dehydrogenase (NAD+) activity
GO:0036094 small molecule binding
GO:0047105 4-trimethylammoniobutyraldehyde dehydrogenase activity
Biological Process
GO:0006081 cellular aldehyde metabolic process
GO:0045329 carnitine biosynthetic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
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:6vwf, PDBe:6vwf, PDBj:6vwf
PDBsum6vwf
PubMed32717224
UniProtP49189|AL9A1_HUMAN 4-trimethylaminobutyraldehyde dehydrogenase (Gene Name=ALDH9A1)

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