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MolNFT v1 · #121616 · protein

Structure of human C4B-binding protein alpha chain ccp domains 1 and 2 in complex with the hypervariable region of mutant group a streptococcus M2 (K65A, N66A) protein

5I0Q · M protein, serotype 2.1: “Structure of human C4B-binding protein alpha chain ccp domains 1 and 2 in complex with the hypervariable…”. X-ray diffraction, 2 pockets (best druggability 0.35). MolNFT v1 #121616 on GenesisL1: 3D…

PDB
5I0Q
Type
protein
Length
159 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
M protein, serotype 2.1; C4B-binding protein alpha chain
UniProt
P50468, P04003
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AM protein, serotype 2.1protein3474% helix, 0% strandP50468
BC4B-binding protein alpha chainprotein1250% helix, 42% strandP04003

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.350.7519empty
2650.280.7313empty

Interfaces

1 interface between chains.

  • A–B · 672 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5I0Q · Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P04003 · AlphaFold monomer V2.0 prediction for C4B-binding protein alpha chain (P04003) · a predicted model of the same protein · chain B against A, TM-score 0.90
  • P50468 · AlphaFold monomer V2.0 prediction for M protein, serotype 2.1 (P50468) · a predicted model of the same protein · chain A against A, TM-score 0.80

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