3S40

the crystal structure of a diacylglycerol kinases from bacillus anthracis str. sterne

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 82
  • Norm. En. per Res.: -4.5695
• 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	-104.3361	-36.3558	-240.04	-380.7319	87	13	13	9516	4	24	33
A-C	-19.9108	0.8082	-163.328	-182.4306	102	11	0	7807	4	40	46
B-D	-23.985	1.711	-162.214	-184.488	95	9	0	7593	0	34	46
C-D	-108.7466	-32.3164	-233.635	-374.698	82	9	13	9227	3	23	34

Interface residues

• A-B: ALA112A, ALA112B, ALA115A, ALA34A, ALA34B, ALA35A, ALA35B, ALA36A, ALA36B, ASN25A, ASN25B, ASP21A, ASP21B, ASP39A, ASP39B, GLU57A, GLU57B, GLU7A, GLU7B, HIS23A, HIS23B, HIS41A, HIS41B, HIS44A, HIS44B, ILE29A, ILE29B, ILE42A, ILE42B, LEU10A, LEU10B, LEU11A, LEU11B, LEU22A, LEU22B, LEU26A, LEU26B, LEU33A, LEU33B, LEU40A, LEU40B, LEU43A, LEU43B, LYS116A, LYS116B, LYS120B, LYS28A, LYS28B, LYS3A, LYS46A, LYS46B, LYS61A, LYS61B, LYS8A, LYS8B, PHE37A, PHE37B, PHE58A, PHE58B, PRO15A, PRO15B, PRO31A, PRO31B, PRO32A, PRO32B, PRO38A, PRO38B, THR119A, THR119B, THR24A, THR24B, THR27A, THR27B, THR45A, THR45B, THR4A, THR4B, TYR54A, TYR54B, VAL13A, VAL13B, VAL30A, VAL30B, VAL62A, VAL62B, VAL9A, VAL9B
• A-C: ALA131A, ALA131C, ALA51A, ALA51C, ALA59A, ALA59C, ALA82A, ALA82C, ARG87A, ARG87C, ASN132A, ASN132C, ASN79A, ASN79C, ASP186A, ASP186C, ASP50A, ASP50C, CYS282A, CYS282C, CYS55A, GLN134A, GLN134C, GLN188C, GLN283A, GLN283C, GLN56A, GLN56C, GLU263A, GLU263C, GLU265A, GLU266A, GLU267A, GLU267C, GLU285A, GLU285C, GLU57A, GLU57C, GLU76A, GLU76C, GLU85A, GLU85C, GLY133A, GLY133C, GLY187A, GLY187C, GLY49A, GLY49C, GLY80A, GLY80C, HIS135A, HIS135C, HIS261A, HIS261C, HIS279A, HIS279C, ILE183C, ILE260A, ILE260C, ILE262A, ILE262C, ILE284A, ILE284C, ILE86A, ILE86C, LEU278A, LEU278C, LEU287A, LEU81A, LEU81C, LEU84A, LEU84C, LYS130A, LYS130C, LYS182A, LYS182C, LYS53A, LYS53C, LYS61A, LYS61C, PHE58A, PHE58C, PRO281A, PRO281C, PRO83A, PRO83C, SER259A, SER259C, SER277A, SER60A, SER60C, THR184A, THR184C, THR264A, THR280A, THR280C, THR52A, THR52C, TYR185C, TYR54A, TYR54C, VAL189C
• B-D: ALA131B, ALA131D, ALA51B, ALA51D, ALA59B, ALA59D, ALA82B, ALA82D, ARG87B, ARG87D, ASN132B, ASN132D, ASN79B, ASN79D, ASP50B, ASP50D, CYS282B, CYS282D, CYS55B, GLN134B, GLN134D, GLN283B, GLN283D, GLN56B, GLN56D, GLU263B, GLU263D, GLU265D, GLU266D, GLU267B, GLU267D, GLU285B, GLU285D, GLU57B, GLU57D, GLU76B, GLU76D, GLU85B, GLU85D, GLY133B, GLY133D, GLY187B, GLY49B, GLY49D, GLY80B, GLY80D, HIS135B, HIS135D, HIS261B, HIS261D, HIS279B, HIS279D, ILE260B, ILE260D, ILE262B, ILE262D, ILE284B, ILE284D, ILE86B, ILE86D, LEU278B, LEU278D, LEU287B, LEU81B, LEU81D, LEU84B, LEU84D, LYS130B, LYS130D, LYS182B, LYS182D, LYS53B, LYS53D, LYS61B, LYS61D, PHE58B, PHE58D, PRO281B, PRO281D, PRO83B, PRO83D, SER259B, SER259D, SER277B, SER277D, SER60B, SER60D, THR184B, THR184D, THR280B, THR280D, THR52B, THR52D, TYR54B, TYR54D
• C-D: ALA112C, ALA112D, ALA34C, ALA34D, ALA35C, ALA35D, ALA36C, ALA36D, ASN25C, ASN25D, ASP21C, ASP21D, ASP39C, ASP39D, GLU57C, GLU57D, GLU7C, GLU7D, HIS23C, HIS23D, HIS41C, HIS41D, HIS44C, HIS44D, ILE29C, ILE29D, ILE42C, ILE42D, LEU10C, LEU10D, LEU11C, LEU11D, LEU22C, LEU22D, LEU26C, LEU26D, LEU33C, LEU33D, LEU40C, LEU40D, LEU43C, LEU43D, LYS116C, LYS116D, LYS28C, LYS28D, LYS46C, LYS46D, LYS61C, LYS61D, LYS8C, LYS8D, PHE37C, PHE37D, PHE58C, PHE58D, PRO15C, PRO15D, PRO31C, PRO31D, PRO32C, PRO32D, PRO38C, PRO38D, THR119C, THR119D, THR24C, THR24D, THR27C, THR27D, THR45C, THR45D, TYR54C, TYR54D, VAL13C, VAL13D, VAL30C, VAL30D, VAL62C, VAL62D, VAL9C, VAL9D