3GBU

crystal structure of an uncharacterized sugar kinase ph1459 from pyrococcus horikoshii in complex with atp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 116
  • Norm. En. per Res.: -4.1115
• 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	0.0	27.0303	-26.3235	0.7068	42	1	0	1578	0	40	38
A-C	-13.503	-21.1142	-51.9932	-86.6104	34	5	2	2705	2	25	29
A-D	-94.9517	9.812	-367.222	-452.3617	112	18	8	14467	5	59	74
B-C	-117.0778	-1.262	-358.594	-476.9338	116	20	7	14519	5	59	79
B-D	-26.5185	-0.4201	-71.414	-98.3526	40	5	3	3228	3	26	32
C-D	0.0	0.0	-1.9345	-1.9345	14	0	0	188	0	9	11

Interface residues

• A-B: ARG26A, ARG283A, ARG283B, ARG290A, ARG290B, ARG45A, ARG45B, ASN73A, ASN73B, ASP292A, ASP292B, GLN281A, GLN281B, GLU293A, GLU293B, GLU29A, GLU29B, GLU67A, GLU67B, GLU68A, GLU68B, GLU72A, GLU72B, LEU240A, LEU240B, LEU27A, LEU27B, LEU295A, LYS282A, LYS282B, LYS291A, LYS291B, LYS296A, LYS296B, LYS30A, LYS30B, LYS71A, LYS71B, TYR64A, TYR64B, VAL17A, VAL17B
• A-C: ARG26A, ARG26C, ARG283A, ARG283C, ASN238A, ASP24A, ASP24C, GLN93C, GLU18A, GLU18C, GLU19A, GLU19C, GLU29A, GLU29C, GLY20C, GLY284A, GLY96A, GLY96C, HIS31A, HIS31C, ILE15A, LEU240A, LEU240C, LEU27A, LEU27C, LEU94A, LYS23C, LYS95A, LYS95C, SER16A, SER16C, VAL17A, VAL17C, VAL25C
• A-D: ALA108A, ALA108D, ARG137A, ARG137D, ARG169A, ARG169D, ARG26A, ARG26D, ASN58A, ASN58D, ASP105A, ASP105D, ASP106A, ASP106D, ASP13A, ASP13D, ASP166A, ASP166D, ASP21A, ASP21D, ASP24A, ASP24D, ASP59A, ASP59D, GLN171D, GLU18A, GLU18D, GLU29A, GLU29D, GLU63A, GLU63D, GLU67A, GLU67D, GLU68A, GLU68D, GLU83A, GLU83D, GLY170A, GLY170D, GLY57A, GLY57D, GLY62A, GLY62D, GLY88A, GLY88D, HIS31A, HIS31D, HIS86A, HIS86D, ILE12A, ILE12D, ILE15A, ILE15D, ILE66A, ILE66D, ILE89A, ILE89D, LEU102A, LEU102D, LEU103A, LEU103D, LEU14A, LEU14D, LEU167A, LEU167D, LEU22A, LEU22D, LEU27A, LEU27D, LEU65A, LEU65D, LYS23A, LYS23D, LYS30A, LYS30D, LYS71A, LYS71D, LYS84A, LYS84D, LYS85A, LYS85D, PHE101A, PHE101D, PHE110D, PHE28A, PHE28D, PHE61A, PHE61D, PHE91A, PHE91D, PRO60A, PRO60D, SER100A, SER100D, SER16A, SER16D, THR87A, THR87D, TYR104A, TYR104D, TYR64A, TYR64D, VAL107A, VAL107D, VAL17A, VAL17D, VAL25A, VAL25D, VAL90A, VAL90D, VAL92A, VAL92D
• B-C: ALA108B, ALA108C, ARG137B, ARG137C, ARG169B, ARG169C, ARG26B, ARG26C, ASN58B, ASN58C, ASP105B, ASP105C, ASP106B, ASP106C, ASP13B, ASP13C, ASP166B, ASP166C, ASP21B, ASP21C, ASP24B, ASP24C, ASP59B, ASP59C, ASP82B, GLN171C, GLU18B, GLU18C, GLU29B, GLU29C, GLU63B, GLU63C, GLU67B, GLU67C, GLU68B, GLU68C, GLU83B, GLU83C, GLY170B, GLY170C, GLY57B, GLY57C, GLY62B, GLY62C, GLY88B, GLY88C, HIS31B, HIS31C, HIS86B, HIS86C, ILE12B, ILE12C, ILE15B, ILE15C, ILE66B, ILE66C, ILE89B, ILE89C, LEU102B, LEU102C, LEU103B, LEU103C, LEU11B, LEU11C, LEU14B, LEU14C, LEU167B, LEU167C, LEU22B, LEU22C, LEU27B, LEU27C, LEU65B, LEU65C, LYS23B, LYS23C, LYS30B, LYS30C, LYS71B, LYS71C, LYS84B, LYS84C, LYS85B, LYS85C, PHE101B, PHE101C, PHE110B, PHE28B, PHE28C, PHE61B, PHE61C, PHE91B, PHE91C, PRO60B, PRO60C, SER100B, SER100C, SER16B, SER16C, THR87B, THR87C, TRP168C, TYR104B, TYR104C, TYR64B, TYR64C, VAL107B, VAL107C, VAL17B, VAL17C, VAL25B, VAL25C, VAL90B, VAL90C, VAL92B, VAL92C
• B-D: ARG26B, ARG26D, ARG283B, ARG283D, ASN238B, ASP21D, ASP241B, ASP241D, ASP24B, ASP24D, GLN93B, GLN93D, GLU18B, GLU18D, GLU19B, GLU19D, GLU29B, GLU29D, GLY20B, GLY20D, GLY284B, GLY96B, GLY96D, HIS31B, HIS31D, ILE15B, LEU240B, LEU240D, LEU27B, LEU27D, LEU94B, LYS23D, LYS95B, LYS95D, SER16B, SER16D, VAL17B, VAL17D, VAL25B, VAL25D
• C-D: ARG26C, ARG26D, ARG283C, ARG283D, GLU29C, GLU29D, LEU240C, LEU240D, LEU27C, LEU27D, LYS71C, LYS71D, VAL17C, VAL17D