2VAR

crystal structure of sulfolobus solfataricus 2-keto-3- deoxygluconate kinase complexed with 2-keto-3- deoxygluconate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 105
  • Norm. En. per Res.: -5.2032
• 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	-109.4451	-77.974	-358.914	-546.3331	105	8	7	12645	4	25	22
A-C	0.0	0.0	-166.703	-166.703	67	5	4	7256	0	9	14
B-C	-23.7361	0.0	-66.5319	-90.268	35	4	3	2453	0	18	23

Interface residues

• A-B: ALA112A, ALA112B, ARG108A, ARG108B, ARG23A, ARG23B, ARG292A, ARG292B, ARG70A, ARG70B, ASN15A, ASN15B, ASN26A, ASN26B, ASN64A, ASN64B, ASP59A, ASP59B, GLN13A, GLN13B, GLN93A, GLN93B, GLU103B, GLU29A, GLU29B, GLU60A, GLU60B, GLU67A, GLU67B, GLU84A, GLU84B, GLY110A, GLY110B, GLY20A, GLY20B, GLY57A, GLY57B, GLY62A, GLY62B, GLY88A, GLY88B, HIS31A, HIS31B, ILE12A, ILE12B, ILE65A, ILE65B, ILE66A, ILE66B, ILE89A, ILE89B, ILE92A, ILE92B, LEU11A, LEU11B, LEU22A, LEU22B, LYS109A, LYS109B, LYS30A, LYS30B, LYS63A, LYS63B, PHE14A, PHE14B, PHE17A, PHE17B, PHE24A, PHE24B, PHE28A, PHE28B, PHE61A, PHE61B, PHE86A, PHE86B, PHE91A, PHE91B, PRO21A, PRO21B, SER111A, SER111B, SER16A, SER16B, SER85A, SER85B, THR87A, THR87B, TYR106A, TYR106B, TYR107A, TYR107B, TYR27A, TYR27B, TYR68A, TYR68B, TYR90A, TYR90B, TYR96A, TYR96B, VAL105A, VAL105B, VAL25A, VAL25B, VAL32A, VAL32B
• A-C: ALA283C, ALA284C, ALA304C, ALA71C, ARG23A, ARG292C, ARG306C, ARG45C, ARG94A, ASN18A, ASN26A, ASN295C, ASN309C, ASP303C, GLN72C, GLN93A, GLU103A, GLU251A, GLU251C, GLU296C, GLU29C, GLU302C, GLU305C, GLU310C, GLY20A, GLY293C, GLY95A, HIS31C, ILE289C, ILE41C, ILE98A, LEU287C, LEU297C, LEU301C, LEU308C, LYS101A, LYS247A, LYS247C, LYS30C, LYS312C, MET100A, PHE17A, PHE17C, PHE24A, PHE307C, PHE311C, PRO19A, PRO21A, PRO249A, PRO249C, PRO299C, PRO97A, PRO99A, SER102A, THR286C, THR290C, THR298C, THR300C, TYR246C, TYR27A, TYR68C, TYR96A, VAL248C, VAL250A, VAL25A, VAL288C, VAL291C
• B-C: ALA71B, ALA71C, ARG45B, ARG45C, ARG70B, ARG70C, ASN64B, ASN64C, ASP303B, ASP303C, GLN72B, GLN72C, GLU60B, GLU60C, GLU67B, GLU67C, GLY73B, GLY73C, HIS47B, ILE66B, ILE66C, ILE74B, ILE74C, LYS63B, LYS63C, SER69B, SER69C, THR300B, THR300C, THR76B, THR76C, TYR68B, TYR68C, VAL44B, VAL44C