MolNFT v1 · #169447 · protein

Crystal structure of an anti-SARS-cov-2 human neutralizing antibody Fab fragment, C105

6XCA · C105 heavy chain: “Crystal structure of an anti-SARS-cov-2 human neutralizing antibody Fab fragment, C105”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.48). MolNFT v1 #169447 on GenesisL1: 3D structure, binding…

PDB: 6XCA
Type: protein
Length: 422 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C105 heavy chain; C105 light chain
Ligands: SO4
Pockets: 2 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	C105 heavy chain	protein	211	9% helix, 51% strand	—
L	C105 light chain	protein	211	7% helix, 50% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains H, L

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	241	0.48	0.74	31	empty
2	51	0.29	0.75	11	empty

Interfaces

1 interface between chains.

H–L · 1701 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6XCA · Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C105 · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 6XCA · PDBe 6XCA

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