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MolNFT v1 · #185185 · protein

Structure of staphylococcus capitis divalent metal ion transporter (dmt) by nabfab-fiducial assisted cryo-EM

7PIJ · Nabfab hc: “Structure of staphylococcus capitis divalent metal ion transporter (dmt) by nabfab-fiducial assisted cryo-EM”. Electron microscopy, 12 pockets (best druggability 0.69). MolNFT v1 #185185 on GenesisL1: 3D structure…

PDB
7PIJ
Type
protein
Length
1,068 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nabfab hc; Nabfab lc; Divalent metal cation transporter mnth; DMTNB16_4; Anti-Fab nanobody
UniProt
A0A4U9TNH6
Pockets
12 · best druggability 0.69

Structure

electron microscopy · 5 distinct chains · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HNabfab hcprotein2219% helix, 44% strand—
LNabfab lcprotein2084% helix, 43% strand—
BDivalent metal cation transporter mnthprotein39878% helix, 0% strandA0A4U9TNH6
NDMTNB16_4protein1210% helix, 32% strand—
KAnti-Fab nanobodyprotein1208% helix, 50% strand—

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14030.690.8145empty
24460.600.7569empty
32190.580.7928empty
42460.560.7831empty
53370.560.7539empty

Interfaces

5 interfaces between chains.

  • H–L · 1898 Ų buried · 16 hydrogen bonds · protein-protein
  • B–N · 812 Ų buried · 11 hydrogen bonds · protein-protein
  • H–N · 759 Ų buried · 7 hydrogen bonds · protein-protein
  • L–K · 588 Ų buried · 8 hydrogen bonds · protein-protein
  • L–N · 268 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 7PIJ · Structure of Staphylococcus capitis divalent metal ion transporter (DMT) by… · the same entry in another collection · chain H against H, TM-score 1.00

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