Ligand · AKR
AKR · Acrylic acid
AKR, Acrylic acid (C3 H4 O2, 72.1 g/mol), in the MolNFT structures on GenesisL1: bound in 39 records (29 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- AKR
- Formula
- C3 H4 O2
- Class
- ligand
- Structures
- 39
- PDB entries
- 29
Binding sites
AKR in 39 structures; the first of them:
- 5F19 · The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 · AKR A607 · binds ARG240, LYS243, ALA271, GLU272
- 5F1A · The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2 · AKR A608 · binds ARG240, LYS243, GLN270, ALA271, GLU272
- 5FDQ · Murine COX-2 S530T mutant · AKR A702 · binds THR237, ASP239, ARG240, LYS243, GLN270, VAL271, GLU272
- 5IKQ · The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2 · AKR A610 · binds ARG240, LYS243, GLN270, ALA271, GLU272, GLU290
- 5JVY · Crystal structure of S121P murine COX-2 mutant · AKR A607 · binds SER478, PHE479, GLU480, LYS493
- 5JVZ · Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant · AKR A610 · binds THR238, ASP240, ARG241, VAL272, GLU273
- 5NNS · Crystal structure of HiLPMO9B · AKR A312 · binds LYS108, GLN111, ILE217, PRO218, GLY219, PRO220, ALA221
- 5Y4K · Crystal structure of DddY mutant Y260A · AKR A502 · binds TYR208, TYR223, HIS263, HIS265, GLU269, TYR271, HIS338, TRP359 and 2 more
- 5Y8H · Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD+ · AKR A302 · binds ALA58, ASP59, ARG83, PRO84, ALA85, THR86, ARG143
- 5Y8J · Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) +… · AKR A304 · binds HIS264, ASP267, HIS264
- 5Y8K · Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + L-serine · AKR A305 · binds ALA58, ASP59, ARG83, PRO84, ALA85, THR86, ARG143
- 5Y8P · Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy… · AKR B304 · binds ALA58, ASP59, ARG83, PRO84, ALA85, THR86, ARG143
- 6ITY · CTX-M-64 sulbactam complex · AKR A302 · binds SER70, SER130, THR216, LYS234, THR235, GLY236, SER237
- 7AM8 · Crystal structure of Omniligase mutant W189F · AKR A302 · binds HIS64, ASN155, HIS217, GLY219, THR220, CYS221, PRO222
- 7PZ3 · Structure of an LPMO at 5.37x10^3 Gy · AKR A302 · binds HIC1, HIS86, HIS164, SER165, GLN173
- 7PZ7 · Structure of an LPMO at 1.13x10^6 Gy · AKR A302 · binds HIC1, HIS86, HIS164, SER165, GLN173
- 5NNS · Crystal structure of HILPMO9B · AKR A312 · binds LYS108, GLN111, ILE217, GLY219, PRO220
Residues it binds most
ALA 28, ARG 25, HIS 20, SER 24, THR 28, GLU 22, GLN 23, ASP 21, LYS 20, GLY 16 (residue and the binding sites it lines).
Found with
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
- GOL · Glycerol
- 9ON · (2~{S})-2-methylpentanedioic acid
- CU · Copper (II) ion
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
- COH · Protoporphyrin IX containing co
- BOG · octyl beta-D-glucopyranoside
- NAD · Nicotinamide-adenine-dinucleotide
- MAN · alpha-D-mannopyranose
- NA · Sodium ion
- 3OH · 3-hydroxy-propanoic acid
- HIU · (2R)-3-hydroxy-2-methylpropanoic acid
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