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MolNFT v1 · #154822 · protein

Cryoem MAP and model of nitrite reductase at pH 6.2

6KNF · Copper-containing nitrite reductase: “Cryoem MAP and model of nitrite reductase at pH 6.2”. Electron microscopy, 1 ligand (CU), 19 pockets (best druggability 0.83). MolNFT v1 #154822 on GenesisL1: 3D structure, binding sites and…

PDB
6KNF
Type
protein
Length
1,002 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Copper-containing nitrite reductase
EC
1.7.2.1
UniProt
P25006
Ligands
CU
Pockets
19 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 11% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CCopper-containing nitrite reductase (EC 1.7.2.1)protein33411% helix, 41% strandP25006

Ligands and binding sites

  • CU · Copper (II) ion · metal · 6 copies · chains A, C, B

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

Pockets

19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12990.830.9428empty
26770.820.8654empty
31330.780.9623empty
41250.770.9522empty
51240.760.9522empty

Interfaces

3 interfaces between chains.

  • A–B · 2103 Ų buried · 26 hydrogen bonds · protein-protein
  • B–C · 2101 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 2093 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 6KNF · CryoEM map and model of Nitrite Reductase at pH 6.2 · the same entry in another collection · chain A against A, TM-score 1.00

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