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MolNFT v1 · #185172 · protein

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

7PHQ · Nabfab hc: “Structure of homo-dimeric staphylococcus capitis divalent metal ion transporter (dmt) by nabfab-fiducial…”. Electron microscopy, 20 pockets (best druggability 0.74). MolNFT v1 #185172 on GenesisL1: 3D structure, binding…

PDB
7PHQ
Type
protein
Length
2,136 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nabfab hc; Nabfab lc; Divalent metal cation transporter mnth; Dmt-NB16_4; Anti-Fab…
UniProt
A0A4U9TNH6
Pockets
20 · best druggability 0.74

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
H, ANabfab hcprotein2219% helix, 44% strand—
L, CNabfab lcprotein2084% helix, 43% strand—
B, DDivalent metal cation transporter mnthprotein39878% helix, 0% strandA0A4U9TNH6
N, EDmt-NB16_4protein1210% helix, 32% strand—
K, FAnti-Fab nanobodyprotein1208% helix, 50% strand—

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17900.740.7878empty
27750.730.7878empty
32990.610.7942empty
44300.600.7569empty
53780.580.7554empty

Interfaces

11 interfaces between chains.

  • H–L · 1905 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 1904 Ų buried · 16 hydrogen bonds · protein-protein
  • D–E · 813 Ų buried · 11 hydrogen bonds · protein-protein
  • B–N · 813 Ų buried · 11 hydrogen bonds · protein-protein
  • H–N · 765 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

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

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