Ligand · J49
J49 · (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl) carbamoylamino]phenyl]carbonylamino]pentanedioic acid
J49, (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl) carbamoylamino]phenyl]carbonylamino]pentanedioic acid (C17 H18 N6 O7, 418.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with…
- Component
- J49
- Formula
- C17 H18 N6 O7
- Class
- ligand
- Structures
- 6
- PDB entries
- 4
Binding sites
J49 in 6 structures; the first of them:
- 7EHM · Human MTHFD2 in complex with compound 21 and 15 · J49 A402 · binds SER83, TYR84, ASN87, LYS88, VAL131, GLN132, LEU133, ASP155 and 9 more
- 7EHN · Human MTHFD2 in complex with compound 21 and 9 · J49 A402 · binds SER83, TYR84, ASN87, LYS88, VAL131, GLN132, LEU133, ASP155 and 6 more
- 7EHJ · Human MTHFD2 in complex with compound 21, cofactor and phosphate. · J49 A501 · binds SER83, TYR84, ASN87, LYS88, VAL131, GLN132, LEU133, ASP155 and 9 more
- 7EHM · Human MTHFD2 in complex with compound 21 and 15 · J49 A402 · binds SER83, TYR84, ASN87, LYS88, VAL131, GLN132, LEU133, ASP155 and 9 more
- 7EHN · Human MTHFD2 in complex with compound 21 and 9 · J49 A402 · binds SER83, TYR84, ASN87, LYS88, VAL131, GLN132, LEU133, ASP155 and 6 more
- 7EHV · Human MTHFD2 in complex with compound 21 and 3 · J49 A402 · binds SER83, TYR84, ASN87, LYS88, VAL131, GLN132, LEU133, ASP155 and 6 more
Residues it binds most
GLY 12, PRO 12, VAL 12, LEU 12, ASN 12, ASP 12, GLN 12, LYS 12, PHE 12, SER 12 (residue and the binding sites it lines).
Found with
- J4F · 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
- J4L · 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- NAD · Nicotinamide-adenine-dinucleotide
- PO4 · Phosphate ion
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