2B2V

crystal structure analysis of human chd1 chromodomains 1 and 2 bound to histone h3 resi 1-15 mek4

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 36
  • Norm. En. per Res.: -2.9994
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-33.2277	-105.4007	-231.082	-369.7104	137	24	2	12311	3	54	46
A-C	-22.9478	-8.8172	-76.2125	-107.9775	36	4	0	2727	0	12	6
A-D	-9.3811	-1.5621	-64.6383	-75.5815	38	0	0	2568	0	5	3
B-C	-6.8752	-23.8514	-27.7131	-58.4397	38	5	0	1715	2	23	28
C-D	0.0	0.0	-0.2445	-0.2445	7	0	0	45	0	1	1

Interface residues

• A-B: ALA108A, ALA108B, ALA138A, ALA138B, ARG103A, ARG135A, ARG135B, ARG185A, ARG185B, ARG18A, ARG18B, ARG86A, ASN117A, ASN117B, ASN141B, ASN93A, ASN93B, ASP112A, ASP112B, ASP124A, ASP124B, ASP21A, ASP21B, ASP98A, ASP98B, CYS118A, CYS118B, CYS153A, CYS163A, CYS163B, CYS22A, GLN119A, GLN119B, GLN120A, GLN120B, GLN156A, GLN156B, GLU100A, GLU100B, GLU111A, GLU111B, GLU114A, GLU114B, GLU121A, GLU121B, GLU162A, GLU162B, GLU17A, GLU17B, GLU181A, GLY134A, GLY134B, GLY157A, GLY157B, GLY66A, GLY66B, GLY87A, GLY87B, HIS127A, HIS127B, HIS139B, HIS69A, HIS69B, ILE132A, ILE136A, ILE136B, ILE137A, ILE137B, ILE16A, ILE16B, LEU105A, LEU105B, LEU122A, LEU122B, LEU126A, LEU126B, LEU158A, LEU158B, LYS102A, LYS154A, LYS154B, LYS186A, LYS65A, LYS65B, LYS89A, LYS89B, LYS90A, LYS90B, LYS96A, LYS96B, LYS97A, LYS97B, MET20A, MET20B, PHE19A, PHE19B, PRO110A, PRO110B, PRO159A, PRO159B, SER109A, SER109B, SER140B, SER161A, SER161B, SER164A, SER164B, SER184B, THR101A, THR101B, THR123A, THR123B, THR15A, TRP104A, TRP104B, TRP155A, TRP155B, TRP165A, TRP165B, TYR115A, TYR115B, TYR116A, TYR116B, TYR130A, TYR130B, TYR152A, TYR152B, TYR160A, TYR160B, TYR182A, TYR182B, TYR94A, TYR94B, VAL113A, VAL113B, VAL133A, VAL133B
• A-C: ALA138A, ALA29C, ALA38C, ALA41C, ALA47C, ARG185A, ARG26C, ASN141A, ASN46C, ASN52C, ASP150A, ASP42C, ASP44C, GLN142A, GLU12A, GLU40C, GLY43C, GLY48C, HIS139A, ILE137A, LYS143A, LYS186A, LYS27C, LYS53C, PHE183A, PHE49C, PRO149A, PRO45C, SER140A, THR33C, THR34C, TRP165A, TYR151A, TYR152A, TYR182A, VAL39C
• A-D: ALA169A, ALA1D, ALA32A, ALA38A, ALA41A, ARG2D, ASP150A, ASP167A, ASP42A, GLN142A, GLN5D, GLU12A, GLU14A, GLU166A, GLY168A, GLY31A, GLY66A, HIS71A, ILE171A, ILE70A, LEU170A, LYS173A, LYS65A, PRO149A, SER140A, SER144A, SER164A, SER68A, THR33A, THR34A, THR35A, THR3D, THR6D, TRP165A, TRP64A, TRP67A, TYR151A, TYR37A
• B-C: ALA108B, ALA47C, ARG103B, ARG23C, ARG26C, ASN107B, ASN46C, ASN52C, ASN72C, ASP112B, ASP21C, ASP44C, CYS22C, GLN59C, GLN99B, GLU100B, GLU40C, GLU50C, GLY25C, GLY48C, HIS69C, ILE24C, ILE36C, ILE70C, LEU61C, LYS102B, LYS106B, LYS51C, LYS96B, MET20C, PHE49C, SER109B, THR34C, THR35C, TRP104B, TRP74C, TYR37C, VAL39C
• C-D: ALA1D, ALA47C, ARG26C, ARG2D, ASN52C, GLU50C, GLY48C