2BEF

crystal structure of ndp kinase complexed with mg, adp, and bef3

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 74
  • Norm. En. per Res.: -3.7739
• Hub Node: A(2)

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	-56.1078	-22.627	-200.536	-279.2708	74	11	2	8177	1	19	18
A-C	-42.4918	-24.4002	-199.215	-266.1071	74	10	2	8180	1	19	19
B-C	-34.8626	-25.0195	-202.644	-262.5261	77	6	2	8207	1	19	19

Interface residues

• A-B: ALA102A, ALA104A, ALA104B, ALA21A, ALA30B, ALA89B, ALA91B, ARG109A, ARG118A, ARG22A, ARG31A, ARG31B, ARG92B, ASN119A, ASN150B, ASN152B, ASN7B, ASN99A, ASP111A, ASP111B, ASP115A, ASP18A, GLU155B, GLU27A, GLU33B, GLU83B, GLY106A, GLY106B, GLY110A, GLY113A, GLY117A, GLY19A, GLY23A, GLY36B, GLY67A, GLY84B, GLY86B, GLY96B, ILE108A, ILE108B, ILE120A, ILE95B, LEU101A, LEU153B, LEU24A, LEU68A, LEU93B, LYS34B, LYS35B, LYS85B, MET94B, PHE112A, PHE37B, PHE64A, PHE71A, PRO100A, PRO105A, PRO105B, PRO149B, PRO151B, PRO17A, SER103A, SER107A, SER107B, SER90B, TYR154B, TYR32B, VAL114A, VAL116A, VAL20A, VAL38B, VAL87B, VAL88B, VAL97A
• A-C: ALA102C, ALA104A, ALA104C, ALA21C, ALA30A, ALA89A, ALA91A, ARG109C, ARG118C, ARG22C, ARG31A, ARG31C, ARG92A, ASN119C, ASN150A, ASN152A, ASN7A, ASN99C, ASP111A, ASP111C, ASP115C, ASP18C, GLU155A, GLU27C, GLU33A, GLU83A, GLY106A, GLY106C, GLY110C, GLY113C, GLY117C, GLY19C, GLY23C, GLY36A, GLY67C, GLY84A, GLY86A, GLY96A, ILE108A, ILE108C, ILE120C, ILE95A, LEU101C, LEU153A, LEU24C, LEU68C, LEU93A, LYS34A, LYS35A, LYS85A, MET94A, PHE112C, PHE37A, PHE64C, PHE71C, PRO100C, PRO105A, PRO105C, PRO149A, PRO151A, PRO17C, SER103C, SER107A, SER107C, SER90A, TYR154A, TYR32A, VAL114C, VAL116C, VAL20C, VAL38A, VAL87A, VAL88A, VAL97C
• B-C: ALA102B, ALA104B, ALA104C, ALA21B, ALA30C, ALA89C, ALA91C, ARG109B, ARG118B, ARG22B, ARG31B, ARG31C, ARG92C, ASN119B, ASN150C, ASN152C, ASN7C, ASN99B, ASP111B, ASP111C, ASP115B, ASP18B, GLU155C, GLU27B, GLU33C, GLU83C, GLU9C, GLY106B, GLY106C, GLY110B, GLY113B, GLY117B, GLY19B, GLY23B, GLY36C, GLY67B, GLY84C, GLY86C, GLY96C, ILE108B, ILE108C, ILE120B, ILE95C, LEU101B, LEU153C, LEU24B, LEU68B, LEU93C, LYS34C, LYS35C, LYS85C, MET94C, PHE112B, PHE37C, PHE64B, PHE71B, PRO100B, PRO105B, PRO105C, PRO149C, PRO151C, PRO17B, SER103B, SER103C, SER107B, SER107C, SER70B, SER90C, TYR154C, TYR32C, VAL114B, VAL116B, VAL20B, VAL38C, VAL87C, VAL88C, VAL97B