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MolNFT v1 · #186206 · protein

Monocot chimeric jacalin JAC1 from oryza sativa: dirigent domain (crystal form 1)

7R5Z · Dirigent protein: “Monocot chimeric jacalin JAC1 from oryza sativa: dirigent domain (crystal form 1)”. X-ray diffraction, 2 ligands (CA, CL), 2 pockets (best druggability 0.77). MolNFT v1 #186206 on GenesisL1: 3D structure, binding…

PDB
7R5Z
Type
protein
Length
435 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dirigent protein
UniProt
Q306J3
Ligands
CA, CL
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 60% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADirigent proteinprotein1422% helix, 61% strandQ306J3
BDirigent proteinprotein1542% helix, 63% strandQ306J3
CDirigent proteinprotein1392% helix, 57% strandQ306J3

Ligands and binding sites

  • CA · Calcium ion · metal · chains A, B, C
  • CL · Chloride ion · ion · 5 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.770.9630CA
2540.290.7516empty

Interfaces

3 interfaces between chains.

  • A–B · 1471 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 989 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 937 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7R5Z · Monocot chimeric jacalin JAC1 from Oryza sativa: dirigent domain (crystal form 1) · the same entry in another collection · chain A against A, TM-score 1.00

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