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Ligand · MD1

MD1 · Phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester

MD1, Phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester (C20 H26 N10 O13 P2 S2, 740.6 g/mol), in the MolNFT structures on GenesisL1: bound in 27 records (14 PDB…

Component
MD1
Formula
C20 H26 N10 O13 P2 S2
Class
ligand
Structures
27
PDB entries
14

Binding sites

MD1 in 27 structures; the first of them:

  • 1Q16 · Crystal structure of Nitrate Reductase A, NarGHI, from Escherichia coli · MD1 A1300 · binds GLY50, ASN52, PRO190, TYR220, ASP222, HIS546, TRP712, ARG713 and 27 more
  • 1Y4Z · The crystal structure of Nitrate Reductase A, NarGHI, in complex with the Q-site… · MD1 A1800 · binds GLY50, ASN52, PRO190, TYR220, ASP222, HIS546, TRP712, ARG713 and 27 more
  • 1Y5I · The crystal structure of the NarGHI mutant NarI-K86A · MD1 A1800 · binds GLY50, ASN52, PRO190, SER195, SER198, TYR220, ASP222, HIS546 and 29 more
  • 1Y5L · The crystal structure of the NarGHI mutant NarI-H66Y · MD1 A1800 · binds GLY50, ASN52, PRO190, TYR220, ASP222, HIS546, TRP712, ARG713 and 27 more
  • 1Y5N · The crystal structure of the NarGHI mutant NarI-K86A in complex with pentachlorophenol · MD1 A1800 · binds GLY50, VAL51, ASN52, PRO190, TYR220, ASP222, HIS546, TRP712 and 28 more
  • 2IVF · Ethylbenzene dehydrogenase from Aromatoleum aromaticum · MD1 A1987 · binds HIS192, HIS194, ALA195, ILE221, ASP223, LYS450, LEU606, SER607 and 27 more
  • 3EGW · The crystal structure of the NarGHI mutant NarH - C16A · MD1 A1245 · binds GLY50, ASN52, PRO190, SER198, TYR220, ASP222, HIS546, TRP712 and 28 more
  • 3IR5 · Crystal structure of NarGHI mutant NarG-H49C · MD1 A1247 · binds GLY50, VAL51, ASN52, PRO190, SER198, TYR220, ASP222, HIS546 and 29 more
  • 3IR7 · Crystal structure of NarGHI mutant NarG-R94S · MD1 A1247 · binds GLY50, VAL51, ASN52, PRO190, SER198, TYR220, ASP222, HIS546 and 29 more
  • 4YDD · Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS · MD1 A1004 · binds LEU33, VAL34, ASN35, PRO138, TYR168, ASP170, HIS426, TYR536 and 27 more
  • 5CH7 · Crystal structure of the perchlorate reductase PcrAB - Phe164 gate switch intermediate… · MD1 A1004 · binds LEU33, VAL34, ASN35, PRO138, TYR168, ASP170, HIS426, TYR536 and 27 more
  • 5CHC · Crystal structure of the perchlorate reductase PcrAB - substrate analog SeO3 bound - from… · MD1 A1004 · binds LEU33, VAL34, ASN35, PRO138, TYR168, ASP170, HIS426, TYR536 and 26 more
  • 5E7O · Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira… · MD1 A1004 · binds LEU33, ASN35, PRO138, TYR168, ASP170, HIS426, TYR536, ARG537 and 26 more
  • 7B04 · Structure of Nitrite oxidoreductase (Nxr) from the anammox bacterium Kuenenia… · MD1 B5801 · binds PRO69, ASN70, ARG124, MET228, LYS236, HIS273, ASP275, HIS531 and 30 more

Residues it binds most

HIS 78, ASN 78, SER 78, ASP 78, ARG 76, THR 78, LYS 74, GLY 70, GLN 54, TRP 77 (residue and the binding sites it lines).

Found with

  • F3S · FE3-S4 cluster
  • SF4 · Iron/sulfur cluster
  • HEM · Protoporphyrin IX containing Fe
  • 6MO · Molybdenum(vi) ion
  • AGA · (1S)-2-{[{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate
  • MGD · 2-amino-5,6-dimercapto-7-methyl-3,7,8A,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
  • MO · Molybdenum atom
  • 3PH · 1,2-diacyl-glycerol-3-sn-phosphate
  • GOL · Glycerol
  • EDO · 1,2-ethanediol
  • NA · Sodium ion
  • PCI · Pentachlorophenol

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