Biological Macromolecule Crystallization Database (version 7.0)

Title: Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866
Description: Chromobox protein homolog 8, unc3866

Structure weight: 7462.673 Resolution: 1.180
Density Matthews: 2.200 Density % solution: 44.600 Z value: 2

Length	Angles
a = 30.575	alpha = 90.000
b = 30.007	beta = 100.170
c = 36.104	gamma = 90.000

Space group: P 1 21 1
Deposition Date: 2015-11-12

Temperature: 293.00
pH: 7.5
Crystallization method: VAPOR DIFFUSION, SITTING DROP
Details: 1.4 M sodium citrate, 0.1 M HEPES, 5% glycerol

Polymer: Chromobox protein homolog 8
Weight: 6667.653 No. of molecules: 1
E.C. number: Mutation:
Source method: man Scientific name: Homo sapiens Common name: Human
Sequence type: polypeptide(L) Length: 55 Isoelectric Point: 9.23
Sequence:
GERVFAAEALLKRRIRKGRMEYLVKWKGWSQKYSTWEPEENILDARLLAAFEERE

Polymer: unc3866
Weight: 795.020 No. of molecules: 1
E.C. number: Mutation:
Source method: syn Scientific name: Homo sapiens Common name: Human
Sequence type: polypeptide(L) Length: 18 Isoelectric Point: 8.75
Sequence:
(5R0)FAL(ELY)(5R5)

Ligand: UNKNOWN ATOM OR ION
Weight: No. of molecules: 12
Source method: syn

Ligand: water
Weight: 18.015 No. of molecules: 49
Source method: nat

Journal: (2016) Nat.Chem.Biol. vol. 12: 180-187
Arrowsmith, C.H., Baughman, B.M., Bedford, M.T., Black, K., Brown, P.J., Cheng, N., Cholensky, S.H., Dickson, B.M., Frye, S.V., Huang, X.P., Huber, K.G., James, L.I., Li, F., Liu, Y., Min, J., Norris, J.L., Pattenden, S.G., Qin, S., Roth, B.L., Sagum, C., Senisterra, G., Stuckey, J.I., Tempel, W., Vedadi, M.

PubMed references:

• 26807715