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MolNFT v1 · #158195 · protein

Blocking Fab 119 anti-sirp-alpha antibody in complex with sirp-alpha variant 1

6NMR · Fab 119 anti-sirp-alpha antibody variable light chain: “Blocking Fab 119 anti-sirp-alpha antibody in complex with sirp-alpha variant 1”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #158195 on GenesisL1: 3D…

PDB
6NMR
Type
protein
Length
2,171 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab 119 anti-sirp-alpha antibody variable light chain; Fab 119 anti-sirp-alpha antibody…
UniProt
P78324
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 9 distinct chains · 5% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
L, GFab 119 anti-sirp-alpha antibody variable light chainprotein2146% helix, 50% strand—
HFab 119 anti-sirp-alpha antibody variable heavy chainprotein2185% helix, 57% strand—
STyrosine-protein phosphatase non-receptor type substrate 1protein1133% helix, 38% strandP78324
B, KFab 119 anti-sirp-alpha antibody variable light chainprotein2137% helix, 50% strand—
AFab 119 anti-sirp-alpha antibody variable heavy chainprotein2176% helix, 55% strand—
ETyrosine-protein phosphatase non-receptor type substrate 1protein1123% helix, 38% strandP78324
FFab 119 anti-sirp-alpha antibody variable heavy chainprotein2157% helix, 52% strand—
I, MTyrosine-protein phosphatase non-receptor type substrate 1protein1123% helix, 32% strandP78324
JFab 119 anti-sirp-alpha antibody variable heavy chainprotein2181% helix, 51% strand—

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11910.730.8939empty
29980.720.7672empty
32620.700.8533empty
43680.700.8243empty
510440.690.74102empty

Interfaces

22 interfaces between chains.

  • L–H · 1964 Ų buried · 15 hydrogen bonds · protein-protein
  • G–F · 1825 Ų buried · 10 hydrogen bonds · protein-protein
  • B–A · 1814 Ų buried · 10 hydrogen bonds · protein-protein
  • K–J · 1720 Ų buried · 11 hydrogen bonds · protein-protein
  • H–S · 919 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 disulfide (disulfide).

Compared structures

  • 6NMR · Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 · the same entry in another collection · chain M against M, TM-score 1.00

Analyse

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