1V1S

2-keto-3-deoxygluconate kinase from thermus thermophilus (crystal form 2)

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 121
  • Norm. En. per Res.: -4.481
• 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	-54.314	-86.3628	-323.524	-464.2008	119	29	10	13799	4	53	34
A-E	-3.6787	-51.3064	-40.459	-95.4441	47	9	1	2261	2	23	18
A-F	0.0	0.0	-0.0031	-0.0031	5	0	0	6	0	3	4
B-C	0.0	-0.2912	-0.4451	-0.7363	14	0	0	122	0	8	8
B-D	-12.5048	-37.7675	-48.3532	-98.6255	51	5	1	2406	4	27	20
C-D	-73.6127	-111.2302	-357.357	-542.1999	121	62	17	16114	8	56	37
C-E	0.0	0.0	-0.001	-0.001	2	0	0	3	0	0	0
C-F	-24.9839	-36.9678	-81.5721	-143.5238	57	7	0	3734	1	36	31
D-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
E-F	-45.5488	-88.2003	-280.148	-413.8971	113	15	7	12334	4	52	31

Interface residues

• A-B: ALA109A, ALA109B, ALA63A, ALA63B, ALA71A, ALA71B, ARG100A, ARG100B, ARG105A, ARG105B, ARG23A, ARG23B, ARG26A, ARG26B, ARG285A, ARG285B, ARG45A, ARG45B, ARG68A, ARG68B, ARG70A, ARG70B, ARG81A, ARG81B, ARG91A, ARG91B, ASP59A, ASP59B, GLN17A, GLN17B, GLU289A, GLU289B, GLU29A, GLU29B, GLU58A, GLU58B, GLU60A, GLU60B, GLU66A, GLU66B, GLU67A, GLU67B, GLU72A, GLU72B, GLU92A, GLU92B, GLY107A, GLY107B, GLY20A, GLY20B, GLY24A, GLY24B, GLY286A, GLY57A, GLY57B, GLY62A, GLY62B, GLY84A, GLY84B, GLY87A, GLY87B, HIS21A, HIS21B, HIS288A, HIS288B, LEU11A, LEU11B, LEU14A, LEU14B, LEU22A, LEU22B, LEU27A, LEU27B, LEU28A, LEU28B, LEU61A, LEU61B, LEU69B, LEU88A, LEU88B, LEU90A, LEU90B, LEU94A, LEU94B, LYS106A, LYS106B, LYS25A, LYS25B, MET64A, MET64B, PHE102A, PHE102B, PHE85A, PHE85B, PRO16A, PRO16B, SER108A, SER108B, THR86A, THR86B, TYR103A, TYR103B, TYR104A, TYR104B, TYR31A, TYR31B, TYR89A, TYR89B, VAL101B, VAL12A, VAL12B, VAL15A, VAL15B, VAL30A, VAL30B, VAL32A, VAL32B, VAL65A, VAL65B
• A-E: ALA109E, ALA114A, ALA114E, ALA117A, ALA117E, ALA144E, ALA149A, ALA82A, ALA82E, ARG155A, ARG156A, ARG55A, ARG55E, ARG80A, ARG80E, ARG81A, ARG81E, ASP119A, ASP119E, ASP121A, GLU141E, GLU151A, GLU152A, GLU58A, GLU58E, GLY116A, GLY116E, GLY84E, HIS78A, HIS78E, LEU113E, PHE118A, PHE118E, PHE145A, PHE145E, PHE79A, PHE79E, PRO115A, PRO115E, PRO120A, PRO140E, PRO83A, PRO83E, THR77A, THR77E, TRP148A, TYR122A
• A-F: ARG143A, ARG182A, GLN168F, GLU174F, SER172F
• B-C: ARG100C, ARG143B, ARG155B, ARG177C, ARG182B, GLN168C, GLU174C, GLU175C, GLU181B, GLY178B, PRO173C, SER172C, TRP171C, TYR166C
• B-D: ALA109D, ALA112B, ALA112D, ALA114B, ALA114D, ALA117B, ALA117D, ALA144B, ALA144D, ALA149B, ALA82B, ALA82D, ARG155B, ARG156B, ARG55B, ARG55D, ARG80B, ARG80D, ARG81B, ARG81D, ASP119B, ASP119D, ASP121B, GLU141D, GLU151B, GLU152B, GLU58B, GLU58D, GLY116B, GLY116D, GLY84D, HIS78B, HIS78D, LEU147D, PHE118B, PHE118D, PHE145B, PHE145D, PHE79D, PRO115B, PRO115D, PRO120B, PRO120D, PRO140D, PRO83B, PRO83D, THR77B, THR77D, TRP148B, TRP148D, TYR122B
• C-D: ALA109D, ALA13C, ALA13D, ALA63C, ALA63D, ARG100C, ARG100D, ARG105C, ARG105D, ARG23C, ARG23D, ARG26C, ARG26D, ARG285C, ARG285D, ARG45C, ARG45D, ARG68C, ARG68D, ARG70C, ARG70D, ARG81C, ARG81D, ARG91C, ARG91D, ASP287D, ASP59C, ASP59D, GLN17C, GLN17D, GLN98C, GLU289C, GLU289D, GLU29C, GLU29D, GLU58C, GLU58D, GLU60C, GLU60D, GLU66C, GLU66D, GLU67C, GLU67D, GLU72C, GLU72D, GLU92C, GLU92D, GLY107C, GLY107D, GLY20C, GLY20D, GLY24C, GLY24D, GLY286C, GLY286D, GLY57C, GLY57D, GLY62C, GLY62D, GLY84C, GLY84D, GLY87C, GLY87D, HIS21C, HIS21D, HIS288C, HIS288D, LEU11C, LEU11D, LEU14C, LEU14D, LEU22C, LEU22D, LEU27C, LEU27D, LEU28C, LEU28D, LEU61C, LEU61D, LEU88C, LEU88D, LEU90C, LEU90D, LEU94C, LEU94D, LYS106C, LYS106D, LYS25C, LYS25D, MET64C, MET64D, PHE102C, PHE102D, PHE85C, PHE85D, PRO16C, PRO16D, SER108C, SER108D, THR86C, THR86D, TYR103C, TYR103D, TYR104C, TYR104D, TYR31C, TYR31D, TYR89C, TYR89D, VAL101C, VAL101D, VAL12C, VAL12D, VAL15C, VAL15D, VAL30C, VAL30D, VAL32C, VAL32D, VAL65C, VAL65D
• C-E: ARG100E, ARG155C
• C-F: ALA114C, ALA114F, ALA117C, ALA117F, ALA144C, ALA144F, ALA82C, ALA82F, ARG155C, ARG155F, ARG55C, ARG55F, ARG70C, ARG70F, ARG80C, ARG80F, ARG81C, ARG81F, ASP119C, ASP119F, ASP121C, ASP121F, GLU151C, GLU151F, GLU152C, GLU152F, GLU58C, GLU58F, GLU66C, GLU66F, GLY116C, GLY116F, GLY84C, GLY84F, HIS78C, HIS78F, LEU76C, LEU76F, PHE118C, PHE118F, PHE145C, PHE145F, PHE79C, PHE79F, PRO115C, PRO115F, PRO120C, PRO120F, PRO83C, PRO83F, THR77C, THR77F, TRP148C, TRP148F, TYR122C, VAL53C, VAL53F
• D-F: ARG100D, ARG155F
• E-F: ALA109F, ALA63E, ALA63F, ALA71E, ALA71F, ARG100E, ARG100F, ARG105E, ARG105F, ARG23E, ARG23F, ARG26E, ARG26F, ARG285E, ARG285F, ARG45E, ARG45F, ARG68E, ARG68F, ARG70E, ARG70F, ARG81E, ARG81F, ARG91E, ARG91F, ASP59E, ASP59F, GLN17E, GLN17F, GLU289E, GLU289F, GLU29E, GLU29F, GLU58E, GLU58F, GLU60E, GLU60F, GLU66E, GLU66F, GLU67E, GLU67F, GLU72E, GLU72F, GLU92E, GLU92F, GLY20E, GLY20F, GLY24E, GLY24F, GLY57E, GLY57F, GLY62E, GLY62F, GLY84E, GLY84F, GLY87E, GLY87F, HIS21E, HIS21F, HIS288E, HIS288F, LEU14E, LEU14F, LEU22E, LEU22F, LEU27E, LEU27F, LEU28E, LEU28F, LEU61E, LEU61F, LEU69F, LEU88E, LEU88F, LEU90E, LEU90F, LEU94E, LEU94F, LYS106E, LYS106F, LYS25E, LYS25F, MET64E, MET64F, PHE102E, PHE102F, PHE85E, PHE85F, PRO16E, PRO16F, SER108E, SER108F, THR86E, THR86F, TYR103E, TYR103F, TYR104E, TYR104F, TYR31E, TYR31F, TYR89E, TYR89F, VAL101F, VAL12E, VAL12F, VAL15E, VAL15F, VAL30E, VAL30F, VAL32E, VAL32F, VAL65E, VAL65F