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MolNFT v1 · #175918 · protein

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

7D5P · Drug transporter, putative: “Structure of norc transporter in an outward-open conformation in complex with a single-chain indian camelid…”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.84). MolNFT v1 #175918 on…

PDB
7D5P
Type
protein
Length
1,083 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
8 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 71% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADrug transporter, putativeprotein40882% helix, 0% strandA0A0H2WZS4
BDrug transporter, putativeprotein41381% helix, 0% strandA0A0H2WZS4
C, DIcabprotein1312% helix, 53% 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

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19200.840.8582empty
211890.810.8283empty
3650.720.9718empty
42310.550.7730empty
52870.520.7434empty

Interfaces

3 interfaces between chains.

  • A–C · 1323 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 1321 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 395 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified, 2 disulfide (engineered, disulfide).

Compared structures

  • 7D5P · Structure of NorC transporter in an outward-open conformation in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00

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