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MolNFT v1 · #175919 · protein

Structure of norc transporter (K398A mutant) in an outward-open conformation in complex with a single-chain indian camelid antibody

7D5Q · Drug transporter, putative: “Structure of norc transporter (K398A mutant) in an outward-open conformation in complex with a single-chain…”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.82). MolNFT v1 #175919 on…

PDB
7D5Q
Type
protein
Length
1,076 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Drug transporter, putative; Icab
UniProt
A0A0H2WZS4
Ligands
ZN
Pockets
7 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 70% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADrug transporter, putativeprotein40381% helix, 0% strandA0A0H2WZS4
BDrug transporter, putativeprotein41180% helix, 0% strandA0A0H2WZS4
C, DIcabprotein1312% helix, 50% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains C, D

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110660.820.8391empty
211110.820.8391empty
33290.560.7534empty
42580.500.7332empty
5700.460.8220empty

Interfaces

3 interfaces between chains.

  • A–C · 1319 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 1304 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 399 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7D5Q · Structure of NorC transporter (K398A mutant) in an outward-open conformation in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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