Structure of PDB 6vr6 Chain B

Receptor sequence
>6vr6B (length=492) Species: 9606 (Homo sapiens) [Search protein sequence]
TGTFVVSQPLNYRGGARVEPADASGTEKAFEPATGRVIATFTCSGEKEVN
LAVQNAKAAFKIWSQKSGMERCRILLEAARIIREREDEIATMECINNGKS
IFEARLDIDISWQCLEYYAGLAASMAGEHIQLPGGSFGYTRREPLGVCVG
IGAWNYPFQIASWKSAPALACGNAMVFKPSPFTPVSALLLAEIYSEAGVP
PGLFNVVQGGAATGQFLCQHPDVAKVSFTGSVPTGMKIMEMSAKGIKPVT
LELGGKSPLIIFSDCDMNNAVKGALMANFLTQGQVCCNGTRVFVQKEILD
KFTEEVVKQTQRIKIGDPLLEDTRMGPLINRPHLERVLGFVKVAKEQGAK
VLCGGDIYVPEDPKLKDGYYMRPCVLTNCRDDMTCVKEEIFGPVMSILSF
DTEAEVLERANDTTFGLAAGVFTRDIQRAHRVVAELQAGTCFINNYNVSP
VELPFGGYKKSGFGRENGRVTIEYYSQLKTVCVEMGDVESAF
3D structure
PDB6vr6 Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1.
ChainB
Resolution2.5 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 E254 C288 E468
Catalytic site (residue number reindexed from 1) N155 E252 C286 E466
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 W156 K180 S182 A213 G216 F230 G232 S233 T236 K239 I240 I151 G152 W154 K178 S180 A211 G214 F228 G230 S231 T234 K237 I238
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:6vr6, PDBe:6vr6, PDBj:6vr6
PDBsum6vr6
PubMed32717224
UniProtP49189|AL9A1_HUMAN 4-trimethylaminobutyraldehyde dehydrogenase (Gene Name=ALDH9A1)

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