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MolNFT v1 · #16325 · protein

Orthorhombic crystal form of molybdopterin synthase

1NVI · Molybdopterin converting factor subunit 1: “Orthorhombic crystal form of molybdopterin synthase”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.46). MolNFT v1 #16325 on GenesisL1: 3D structure, binding sites and…

PDB
1NVI
Type
protein
Length
223 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Molybdopterin converting factor subunit 1; Molybdopterin converting factor subunit 2
UniProt
P30748, P30749
Ligands
SO4
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DMolybdopterin converting factor subunit 1protein8128% helix, 27% strandP30748
EMolybdopterin converting factor subunit 2protein14236% helix, 33% strandP30749

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains D, E
  • GOL · Glycerol · additive · 2 copies · chains D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11730.460.7534SO4

Interfaces

1 interface between chains.

  • D–E · 946 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 1NVI · Orthorhombic Crystal Form of Molybdopterin Synthase · the same entry in another collection · chain D against D, TM-score 1.00
  • P30749 · AlphaFold monomer V2.0 prediction for molybdopterin synthase catalytic subunit (P30749) · a predicted model of the same protein · chain E against A, TM-score 0.97
  • P30748 · AlphaFold monomer V2.0 prediction for molybdopterin synthase sulfur carrier subunit… · a predicted model of the same protein · chain D against A, TM-score 0.95

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