MolNFT v1 · #32859 · protein

Crystal structure of the chip-UBC13-UEV1A complex

2C2V · Ubiquitin-conjugating enzyme E2 N: “Crystal structure of the chip-UBC13-UEV1A complex”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #32859 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2C2V
Type: protein
Length: 1,455 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin-conjugating enzyme E2 N; Ubiquitin-conjugating enzyme E2 variant 1; STIP1…
EC: 2.3.2.23, 2.3.2.27
UniProt: P61088, Q13404, Q9WUD1
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 8 distinct chains · 31% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, K	Ubiquitin-conjugating enzyme E2 N (EC 2.3.2.23)	protein	152	34% helix, 17% strand	P61088
C	Ubiquitin-conjugating enzyme E2 variant 1	protein	142	20% helix, 20% strand	Q13404
E, H	Ubiquitin-conjugating enzyme E2 N (EC 2.3.2.23)	protein	149	34% helix, 19% strand	P61088
F, I, L	Ubiquitin-conjugating enzyme E2 variant 1	protein	139	24% helix, 20% strand	Q13404
S	STIP1 homology and U box-containing protein 1 (EC 2.3.2.27)	protein	74	41% helix, 16% strand	Q9WUD1
T	STIP1 homology and U box-containing protein 1 (EC 2.3.2.27)	protein	78	32% helix, 15% strand	Q9WUD1
U	STIP1 homology and U box-containing protein 1 (EC 2.3.2.27)	protein	72	42% helix, 13% strand	Q9WUD1
V	STIP1 homology and U box-containing protein 1 (EC 2.3.2.27)	protein	70	33% helix, 9% strand	Q9WUD1

Pockets

20 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	712	0.73	0.79	81	empty
2	204	0.52	0.77	39	empty
3	216	0.50	0.76	28	empty
4	122	0.48	0.79	20	empty
5	163	0.48	0.77	24	empty

Interfaces

13 interfaces between chains.

C–F · 942 Å² buried · 17 hydrogen bonds · protein-protein
H–I · 791 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 777 Å² buried · 5 hydrogen bonds · protein-protein
K–L · 762 Å² buried · 5 hydrogen bonds · protein-protein
E–F · 742 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

2C2V · Crystal structure of the CHIP-UBC13-UEV1a complex · the same entry in another collection · chain V against V, 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
Every structure of UniProt P61088
Every structure of UniProt Q13404
Every structure of UniProt Q9WUD1
Elsewhere: RCSB PDB 2C2V · PDBe 2C2V · UniProt P61088 · UniProt Q13404 · UniProt Q9WUD1

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