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Catalytic antibody 21H3 with alcohol substrate

Analyse Catalytic antibody 21H3 with alcohol substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1UM5
Type: protein
Length: 433 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Antibody 21H3 L chain; Antibody 21H3 H chain
Ligands: SS1
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Antibody 21H3 L chain	protein	216	7% helix, 51% strand	—
H	Antibody 21H3 H chain	protein	217	8% helix, 53% strand	—

Ligands and binding sites

SS1 · 1-phenylethanol · ligand · chains L, H

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	711	0.66	0.75	69	empty
2	104	0.56	0.84	24	SS1
3	71	0.32	0.75	22	empty
4	80	0.31	0.73	16	empty

Interfaces

1 interface between chains.

L–H · 1822 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1UM5 · Catalytic Antibody 21H3 with alcohol substrate · the same entry in another collection · chain L against L, 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 1UM5 · PDBe 1UM5

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