MolNFT v1 · #116859 · protein + DNA

Crystal structure of CAS-DNA-22 complex

5DQT · CRISPR-associated endonuclease CAS1: “Crystal structure of CAS-DNA-22 complex”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #116859 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5DQT
Type: protein + DNA
Length: 2,673 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CRISPR-associated endonuclease CAS1; CRISPR-associated endoribonuclease CAS2; DNA…
EC: 3.1.-.-
UniProt: Q46896, P45956
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 9 distinct chains · 48% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D	CRISPR-associated endonuclease CAS1 (EC 3.1.-.-)	protein	255	54% helix, 15% strand	Q46896
C, K	CRISPR-associated endonuclease CAS1 (EC 3.1.-.-)	protein	278	51% helix, 14% strand	Q46896
A, L, I	CRISPR-associated endonuclease CAS1 (EC 3.1.-.-)	protein	267	50% helix, 14% strand	Q46896
B	CRISPR-associated endonuclease CAS1 (EC 3.1.-.-)	protein	279	51% helix, 14% strand	Q46896
F, E	CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-)	protein	93	26% helix, 44% strand	P45956
J	CRISPR-associated endonuclease CAS1 (EC 3.1.-.-)	protein	280	52% helix, 15% strand	Q46896
N, M	CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-)	protein	92	26% helix, 47% strand	P45956
G, O	DNA (34-mer)	dna	33	—	—
H, P	DNA (33-mer)	dna	33	—	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	888	0.82	0.84	53	empty
2	944	0.80	0.82	57	empty
3	1104	0.79	0.81	77	empty
4	1002	0.79	0.81	66	empty
5	578	0.77	0.84	42	empty

Interfaces

44 interfaces between chains.

A–B · 1687 Å² buried · 22 hydrogen bonds · protein-protein
L–K · 1686 Å² buried · 22 hydrogen bonds · protein-protein
D–C · 1681 Å² buried · 20 hydrogen bonds · protein-protein
I–J · 1668 Å² buried · 19 hydrogen bonds · protein-protein
N–M · 1242 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

5DQT · Crystal Structure of Cas-DNA-22 complex · the same entry in another collection · chain N against N, 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 Q46896
Every structure of UniProt P45956
Elsewhere: RCSB PDB 5DQT · PDBe 5DQT · UniProt Q46896 · UniProt P45956

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.