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MolNFT v1 · #150074 · protein

Water-soluble chlorophyll protein (wscp) from lepidium virginicum (mutation L91P) with chlorophyll-a

6GIW: “Water-soluble chlorophyll protein (wscp) from lepidium virginicum (mutation L91P) with chlorophyll-a”. X-ray diffraction, 1 ligand (CLA), 4 pockets (best druggability 0.74). MolNFT v1 #150074 on GenesisL1: 3D structure, binding…

PDB
6GIW
Type
protein
Length
631 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Water-soluble chlorophyll protein
UniProt
O04797
Ligands
CLA
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 2% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AWater-soluble chlorophyll proteinprotein1562% helix, 43% strandO04797
BWater-soluble chlorophyll proteinprotein1552% helix, 41% strandO04797
CWater-soluble chlorophyll proteinprotein1572% helix, 43% strandO04797
DWater-soluble chlorophyll proteinprotein1632% helix, 41% strandO04797

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 4 copies · chains A, B, C, D

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
14640.740.8339CLA
24540.740.8235CLA
31880.430.7336empty
41610.410.7330empty

Interfaces

6 interfaces between chains.

  • C–D · 601 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 569 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 393 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 382 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 153 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6GIW · Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with… · the same entry in another collection · chain A against A, TM-score 1.00

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