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MolNFT v1 · #136534 · protein

Structure of E. COLI mce protein mlad, periplasmic domain

5UW2 · Probable phospholipid ABC transporter-binding protein mlad: “Structure of E. COLI mce protein mlad, periplasmic domain”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.66). MolNFT v1 #136534 on GenesisL1: 3D…

PDB
5UW2
Type
protein
Length
332 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable phospholipid ABC transporter-binding protein mlad
UniProt
P64605
Ligands
ZN
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable phospholipid ABC transporter-binding protein mladprotein1128% helix, 43% strandP64605
B, CProbable phospholipid ABC transporter-binding protein mladprotein1108% helix, 44% strandP64605

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains A, B, C

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14190.660.7953empty
21900.530.7831empty
3690.330.7521empty
4510.290.7617empty

Interfaces

2 interfaces between chains.

  • B–C · 879 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 876 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5UW2 · Structure of E. coli MCE protein MlaD, periplasmic domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P64605 · AlphaFold monomer V2.0 prediction for intermembrane phospholipid transport system binding… · a predicted model of the same protein · chain A against A, TM-score 0.97

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