2A7W

crystal structure of phosphoribosyl-atp pyrophosphatase from chromobacterium violaceum (atcc 12472). nesg target cvr7

• Total interactions analyzed: 66
• Total true interactions: 28
• Strongest Interaction:
  • Chains: I-K
  • Int. Res.: 23
  • Norm. En. per Res.: -4.6301
• Hub Node: A(5)

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	-70.5719	-78.2679	-494.419	-643.2588	146	14	31	22181	8	73	71
A-C	-36.3943	-37.5979	-27.2565	-101.2487	24	5	3	1343	4	10	7
A-D	0.0	35.3216	-30.8036	4.518	38	2	5	1675	4	36	37
A-E	0.0	15.5591	-39.8283	-24.2692	30	4	0	1718	2	35	22
A-F	0.0	40.2855	-25.157	15.1285	17	11	3	1573	0	8	11
B-C	0.0	26.3387	-25.2369	1.1018	38	0	5	1506	4	33	33
B-D	-33.6308	-35.6242	-28.849	-98.104	23	4	3	1308	4	10	7
B-E	0.0	0.0	0.3926	0.3926	6	3	0	189	0	5	6
B-F	0.0	18.732	-13.3488	5.3832	17	1	0	918	0	19	16
C-D	-80.2098	-74.6024	-476.395	-631.2072	143	12	31	21878	8	73	70
D-E	0.0	0.0	-0.0733	-0.0733	4	0	0	31	0	3	8
D-F	0.0	0.0	-0.0923	-0.0923	3	0	0	23	0	2	2
E-F	-72.8788	-78.7799	-482.001	-633.6597	143	19	31	22181	8	73	71
E-G	-33.7969	-36.0911	-25.2368	-95.1248	24	2	3	1315	4	10	9
E-H	0.0	33.513	-26.5527	6.9603	38	1	5	1567	4	34	36
F-G	-2.6373	13.1815	-26.4604	-15.9162	38	2	5	1587	3	34	36
F-H	-32.8542	-36.8958	-26.8027	-96.5527	24	3	3	1344	4	10	9
G-H	-66.8961	-77.7211	-483.431	-628.0482	143	16	30	22190	8	73	72
G-K	0.0	1.858	-26.733	-24.875	18	1	3	1302	0	5	10
G-L	-12.737	9.1081	-17.7174	-21.3464	19	1	0	1058	0	20	17
H-K	-20.4769	49.1225	-17.6098	11.0358	23	6	0	1512	0	28	23
H-L	0.0	0.0	-1.137	-1.137	10	0	0	166	0	8	9
I-J	-71.4907	-77.7052	-486.231	-635.4269	142	15	31	22105	8	74	71
I-K	-38.8419	-40.1239	-27.5269	-106.4927	23	6	3	1350	4	10	7
I-L	0.0	26.8362	-25.361	1.4752	38	2	5	1518	4	32	33
J-K	0.0	40.5525	-23.6599	16.8926	38	1	4	1506	4	34	34
J-L	-34.9255	-36.9024	-24.4328	-96.2608	24	4	3	1330	4	10	7
K-L	-65.0703	-77.5777	-484.543	-627.1909	144	21	31	22357	8	75	73

Interface residues

• A-B: ALA10A, ALA10B, ALA36A, ALA36B, ALA42A, ALA42B, ALA45A, ALA45B, ALA46A, ALA46B, ALA51A, ALA51B, ALA65A, ALA65B, ARG16A, ARG16B, ARG17B, ARG62A, ARG62B, ARG81A, ARG81B, ARG91A, ARG91B, ARG92A, ARG92B, ASN8A, ASN8B, ASP35A, ASP35B, ASP4A, ASP4A5, ASP4B, ASP54A, ASP54B, ASP56A, ASP56B, ASP66A, ASP66B, ASP84A, ASP84B, CB6.2412844.52172, CB9.63226-2.15007, GLU34A, GLU34B, GLU43A, GLU43B, GLU44A, GLU44B, GLU47A, GLU47B, GLU63A, GLU63B, GLU83A, GLU83B, GLU88A, GLU88B, GLU93A, GLU93B, GLY79A, GLY79B, GLY94A, GLY94B, HIS59A, HIS59B, HIS70A, HIS70B, HIS78A, HIS78B, HIS90A, HIS90B, ILE37A, ILE37B, ILE9A, ILE9B, LEU13A, LEU13B, LEU38A, LEU38B, LEU49A, LEU49B, LEU58A, LEU58B, LEU60A, LEU60B, LEU67A, LEU67B, LEU6A, LEU6B, LEU74A, LEU74B, LEU75A, LEU75B, LEU80A, LEU80B, LEU89A, LEU89B, LYS39A, LYS39B, LYS40A, LYS40B, LYS53A, LYS53B, LYS55A, LYS55B, LYS57A, LYS57B, LYS7A, LYS7B, PHE69A, PHE69B, PRO82A, PRO82B, SER24A, SER24B, SER52A, SER52B, THR12A, THR12B, THR48A, THR48B, THR71A, THR71B, THR76A, THR76B, TRP68A, TRP68B, TYR25A, TYR25B, TYR77A, TYR77B, VAL26A, VAL26B, VAL41A, VAL41B, VAL5A, VAL5B, VAL61A, VAL61B, VAL64A, VAL64B, VAL73A, VAL73B, VAL85A, VAL85B, VAL86A, VAL86B
• A-C: ALA42A, ALA45A, ALA45C, ALA46A, ALA46C, ALA51A, ALA51C, ASP54A, ASP54C, ASP56A, GLU43A, GLU43C, GLU47A, GLU47C, LEU49A, LEU49C, LYS53A, LYS53C, LYS55A, LYS55C, SER52A, SER52C, THR48A, THR48C
• A-D: ALA36A, ALA36D, ALA42A, ALA42D, ALA45A, ALA45D, ALA46A, ALA46D, ALA51A, ALA51D, ASP35A, ASP35D, ASP54A, ASP54D, GLU34A, GLU34D, GLU43A, GLU43D, GLU44A, GLU44D, GLU47A, GLU47D, GLU63A, GLU63D, HIS59A, HIS59D, LEU38A, LEU38D, LEU49A, LEU49D, LYS39A, LYS39D, LYS40A, LYS40D, LYS53A, LYS53D, VAL41A, VAL41D
• A-E: ALA51A, ALA65A, ARG62A, ARG81E, ARG91E, ARG92E, ASP54A, ASP56A, ASP66A, ASP84E, GLU44A, GLU47A, GLU63A, GLU83E, GLU88E, GLY79E, HIS59A, HIS70A, HIS90E, LEU58A, LEU60A, LEU67A, LEU75E, LEU80E, LEU89E, LYS55A, LYS57A, VAL61A, VAL64A, VAL85E
• A-F: ALA65F, ARG62A, ARG62F, ASP56A, ASP56F, GLU63F, HIS59A, HIS59F, LEU58A, LEU58F, LEU60A, LEU60F, LYS57A, LYS57F, VAL61A, VAL61F, VAL64F
• B-C: ALA36B, ALA36C, ALA42B, ALA42C, ALA45B, ALA45C, ALA46B, ALA46C, ALA51B, ALA51C, ASP35B, ASP35C, ASP54B, ASP54C, GLU34B, GLU34C, GLU43B, GLU43C, GLU44B, GLU44C, GLU47B, GLU47C, GLU63B, GLU63C, HIS59B, HIS59C, LEU38B, LEU38C, LEU49B, LEU49C, LYS39B, LYS39C, LYS40B, LYS40C, LYS53B, LYS53C, VAL41B, VAL41C
• B-D: ALA42B, ALA45B, ALA45D, ALA46B, ALA46D, ALA51B, ALA51D, ASP54B, ASP54D, GLU43B, GLU43D, GLU47B, GLU47D, LEU49B, LEU49D, LYS53B, LYS53D, LYS55B, LYS55D, SER52B, SER52D, THR48B, THR48D
• B-E: ARG91B, ARG91E, ARG92B, ARG92E, GLU88B, GLU88E
• B-F: ARG62F, ARG81B, ARG91B, ARG92B, ASP56F, ASP66F, ASP84B, GLU44F, GLU47F, GLU63F, GLU88B, HIS59F, LEU58F, LEU75B, LEU80B, LYS57F, VAL85B
• C-D: ALA10C, ALA10D, ALA36C, ALA36D, ALA42C, ALA42D, ALA45C, ALA45D, ALA46C, ALA46D, ALA51C, ALA51D, ALA65C, ALA65D, ARG16C, ARG16D, ARG17D, ARG62C, ARG62D, ARG81C, ARG81D, ARG91C, ARG91D, ARG92C, ARG92D, ASN8C, ASN8D, ASP35C, ASP35D, ASP4C, ASP4D, ASP54C, ASP54D, ASP56C, ASP56D, ASP66C, ASP66D, ASP84C, ASP84D, GLU34C, GLU34D, GLU43C, GLU43D, GLU44C, GLU44D, GLU47C, GLU47D, GLU63C, GLU63D, GLU83C, GLU83D, GLU88C, GLU88D, GLU93C, GLU93D, GLY79C, GLY79D, GLY94C, GLY94D, HIS59C, HIS59D, HIS70C, HIS70D, HIS78C, HIS78D, HIS90C, HIS90D, ILE37C, ILE37D, ILE9C, ILE9D, LEU13C, LEU13D, LEU38C, LEU38D, LEU49C, LEU49D, LEU58C, LEU58D, LEU60C, LEU60D, LEU67C, LEU67D, LEU6C, LEU6D, LEU74C, LEU74D, LEU75C, LEU75D, LEU80C, LEU80D, LEU89C, LEU89D, LYS39C, LYS39D, LYS40C, LYS40D, LYS53C, LYS53D, LYS55C, LYS55D, LYS57C, LYS57D, LYS7C, LYS7D, PHE69C, PHE69D, PRO82C, PRO82D, SER24C, SER24D, SER52C, SER52D, THR12C, THR12D, THR48C, THR48D, THR71C, THR71D, THR76C, THR76D, TRP68C, TRP68D, TYR25C, TYR25D, TYR77C, TYR77D, VAL26C, VAL26D, VAL41C, VAL41D, VAL5C, VAL5D, VAL61C, VAL61D, VAL64C, VAL64D, VAL73C, VAL73D, VAL85C, VAL85D, VAL86C, VAL86D
• D-E: ALA36D, ASP35D, HIS90E, LYS32D
• D-F: ASN8F, ASP4F, HIS31D
• E-F: ALA10E, ALA10F, ALA36E, ALA36F, ALA42E, ALA42F, ALA45E, ALA45F, ALA46E, ALA46F, ALA51E, ALA51F, ALA65E, ALA65F, ARG16E, ARG16F, ARG17E, ARG62E, ARG62F, ARG81E, ARG81F, ARG91E, ARG91F, ARG92E, ARG92F, ASN8E, ASN8F, ASP35E, ASP35F, ASP4E, ASP4F, ASP54E, ASP54F, ASP56E, ASP56F, ASP66E, ASP66F, ASP84E, ASP84F, GLU34E, GLU34F, GLU43E, GLU43F, GLU44E, GLU44F, GLU47E, GLU47F, GLU63E, GLU63F, GLU83E, GLU83F, GLU88E, GLU88F, GLU93E, GLU93F, GLY79E, GLY79F, GLY94E, GLY94F, HIS59E, HIS59F, HIS70E, HIS70F, HIS78E, HIS78F, HIS90E, HIS90F, ILE37E, ILE37F, ILE9E, ILE9F, LEU13E, LEU13F, LEU38E, LEU38F, LEU49E, LEU49F, LEU58E, LEU58F, LEU60E, LEU60F, LEU67E, LEU67F, LEU6E, LEU6F, LEU74E, LEU74F, LEU75E, LEU75F, LEU80E, LEU80F, LEU89E, LEU89F, LYS39E, LYS39F, LYS40E, LYS40F, LYS53E, LYS53F, LYS55E, LYS55F, LYS57E, LYS57F, LYS7E, LYS7F, PHE69E, PHE69F, PRO82E, PRO82F, SER24E, SER24F, SER52E, SER52F, THR12E, THR12F, THR48E, THR48F, THR71E, THR71F, THR76E, THR76F, TRP68E, TRP68F, TYR25E, TYR25F, TYR77E, TYR77F, VAL26E, VAL26F, VAL41E, VAL41F, VAL5E, VAL5F, VAL61E, VAL61F, VAL64E, VAL64F, VAL73E, VAL73F, VAL85E, VAL85F, VAL86E, VAL86F
• E-G: ALA42E, ALA42G, ALA45E, ALA45G, ALA46E, ALA46G, ALA51E, ALA51G, ASP54E, ASP54G, GLU43E, GLU43G, GLU47E, GLU47G, LEU49E, LEU49G, LYS53E, LYS53G, LYS55E, LYS55G, SER52E, SER52G, THR48E, THR48G
• E-H: ALA36E, ALA36H, ALA42E, ALA42H, ALA45E, ALA45H, ALA46E, ALA46H, ALA51E, ALA51H, ASP35E, ASP35H, ASP54E, ASP54H, GLU34E, GLU34H, GLU43E, GLU43H, GLU44E, GLU44H, GLU47E, GLU47H, GLU63E, GLU63H, HIS59E, HIS59H, LEU38E, LEU38H, LEU49E, LEU49H, LYS39E, LYS39H, LYS40E, LYS40H, LYS53E, LYS53H, VAL41E, VAL41H
• F-G: ALA36F, ALA36G, ALA42F, ALA42G, ALA45F, ALA45G, ALA46F, ALA46G, ALA51F, ALA51G, ASP35F, ASP35G, ASP54F, ASP54G, GLU34F, GLU34G, GLU43F, GLU43G, GLU44F, GLU44G, GLU47F, GLU47G, GLU63F, GLU63G, HIS59F, HIS59G, LEU38F, LEU38G, LEU49F, LEU49G, LYS39F, LYS39G, LYS40F, LYS40G, LYS53F, LYS53G, VAL41F, VAL41G
• F-H: ALA42F, ALA42H, ALA45F, ALA45H, ALA46F, ALA46H, ALA51F, ALA51H, ASP54F, ASP54H, GLU43F, GLU43H, GLU47F, GLU47H, LEU49F, LEU49H, LYS53F, LYS53H, LYS55F, LYS55H, SER52F, SER52H, THR48F, THR48H
• G-H: ALA10G, ALA10H, ALA36G, ALA36H, ALA42G, ALA42H, ALA45G, ALA45H, ALA46G, ALA46H, ALA51G, ALA51H, ALA65G, ALA65H, ARG16G, ARG16H, ARG17G, ARG62G, ARG62H, ARG81G, ARG81H, ARG91G, ARG91H, ARG92G, ARG92H, ASN8G, ASN8H, ASP35G, ASP35H, ASP4G, ASP4H, ASP54G, ASP54H, ASP56G, ASP56H, ASP66G, ASP66H, ASP84G, ASP84H, GLU34G, GLU34H, GLU43G, GLU43H, GLU44G, GLU44H, GLU47G, GLU47H, GLU63G, GLU63H, GLU83G, GLU83H, GLU88G, GLU88H, GLU93G, GLU93H, GLY79G, GLY79H, GLY94G, GLY94H, HIS59G, HIS59H, HIS70G, HIS70H, HIS78G, HIS78H, HIS90G, HIS90H, ILE37G, ILE37H, ILE9G, ILE9H, LEU13G, LEU13H, LEU38G, LEU38H, LEU49G, LEU49H, LEU58G, LEU58H, LEU60G, LEU60H, LEU67G, LEU67H, LEU6G, LEU6H, LEU74G, LEU74H, LEU75G, LEU75H, LEU80G, LEU80H, LEU89G, LEU89H, LYS39G, LYS39H, LYS40G, LYS40H, LYS53G, LYS53H, LYS55G, LYS55H, LYS57G, LYS57H, LYS7G, LYS7H, PHE69G, PHE69H, PRO82G, PRO82H, SER24G, SER24H, SER52G, SER52H, THR12G, THR12H, THR48G, THR48H, THR71G, THR71H, THR76G, THR76H, TRP68G, TRP68H, TYR25G, TYR25H, TYR77G, TYR77H, VAL26G, VAL26H, VAL41G, VAL41H, VAL5G, VAL5H, VAL61G, VAL61H, VAL64G, VAL64H, VAL73G, VAL73H, VAL85G, VAL85H, VAL86G, VAL86H
• G-K: ALA65G, ALA65K, ARG62G, ARG62K, ASP56G, ASP56K, GLU63G, GLU63K, HIS59G, HIS59K, LEU58G, LEU58K, LEU60G, LEU60K, LYS57G, LYS57K, VAL61G, VAL61K
• G-L: ARG62G, ARG81L, ARG91L, ASP56G, ASP84L, GLU14L, GLU83L, GLU88L, GLY79L, HIS59G, HIS78L, LEU58G, LEU75L, LEU80L, LYS55G, LYS57G, THR76L, VAL61G, VAL85L
• H-K: ARG62K, ARG81H, ARG91H, ARG92H, ASP54K, ASP56K, ASP84H, GLU14H, GLU83H, GLU88H, GLY79H, HIS59K, HIS78H, LEU58K, LEU60K, LEU75H, LEU80H, LEU89H, LYS55K, LYS57K, THR76H, VAL61K, VAL85H
• H-L: ARG91H, ARG91L, ARG92L, GLU88L, GLY79H, GLY79L, HIS78H, HIS78L, LEU80H, LEU80L
• I-J: ALA10I, ALA10J, ALA36I, ALA36J, ALA42I, ALA42J, ALA45I, ALA45J, ALA46I, ALA46J, ALA51I, ALA51J, ALA65I, ALA65J, ARG16I, ARG16J, ARG17J, ARG62I, ARG62J, ARG81I, ARG81J, ARG91I, ARG91J, ARG92I, ARG92J, ASN8I, ASN8J, ASP35I, ASP35J, ASP4I, ASP4J, ASP54I, ASP54J, ASP56I, ASP56J, ASP66I, ASP66J, ASP84I, ASP84J, GLU34I, GLU34J, GLU43I, GLU43J, GLU44I, GLU44J, GLU47I, GLU63I, GLU63J, GLU83I, GLU83J, GLU88I, GLU88J, GLU93I, GLU93J, GLY79I, GLY79J, GLY94I, GLY94J, HIS59I, HIS59J, HIS70I, HIS70J, HIS78I, HIS78J, HIS90I, HIS90J, ILE37I, ILE37J, ILE9I, ILE9J, LEU13I, LEU13J, LEU38I, LEU38J, LEU49I, LEU49J, LEU58I, LEU58J, LEU60I, LEU60J, LEU67I, LEU67J, LEU6I, LEU6J, LEU74I, LEU74J, LEU75I, LEU75J, LEU80I, LEU80J, LEU89I, LEU89J, LYS39I, LYS39J, LYS40I, LYS40J, LYS53I, LYS53J, LYS55I, LYS55J, LYS57I, LYS57J, LYS7I, LYS7J, PHE69I, PHE69J, PRO82I, PRO82J, SER24I, SER24J, SER52I, SER52J, THR12I, THR12J, THR48I, THR48J, THR71I, THR71J, THR76I, THR76J, TRP68I, TRP68J, TYR25I, TYR25J, TYR77I, TYR77J, VAL26I, VAL26J, VAL41I, VAL41J, VAL5I, VAL5J, VAL61I, VAL61J, VAL64I, VAL64J, VAL73I, VAL73J, VAL85I, VAL85J, VAL86I, VAL86J
• I-K: ALA42I, ALA45I, ALA45K, ALA46I, ALA46K, ALA51I, ALA51K, ASP54I, ASP54K, GLU43I, GLU43K, GLU47I, GLU47K, LEU49I, LEU49K, LYS53I, LYS53K, LYS55I, LYS55K, SER52I, SER52K, THR48I, THR48K
• I-L: ALA36I, ALA36L, ALA42I, ALA42L, ALA45I, ALA45L, ALA46I, ALA46L, ALA51I, ALA51L, ASP35I, ASP35L, ASP54I, ASP54L, GLU34I, GLU34L, GLU43I, GLU43L, GLU44I, GLU44L, GLU47I, GLU47L, GLU63I, GLU63L, HIS59I, HIS59L, LEU38I, LEU38L, LEU49I, LEU49L, LYS39I, LYS39L, LYS40I, LYS40L, LYS53I, LYS53L, VAL41I, VAL41L
• J-K: ALA36J, ALA36K, ALA42J, ALA42K, ALA45J, ALA45K, ALA46J, ALA46K, ALA51J, ALA51K, ASP35J, ASP35K, ASP54J, ASP54K, GLU34J, GLU34K, GLU43J, GLU43K, GLU44J, GLU44K, GLU47J, GLU47K, GLU63J, GLU63K, HIS59J, HIS59K, LEU38J, LEU38K, LEU49J, LEU49K, LYS39J, LYS39K, LYS40J, LYS40K, LYS53J, LYS53K, VAL41J, VAL41K
• J-L: ALA42J, ALA42L, ALA45J, ALA45L, ALA46J, ALA46L, ALA51J, ALA51L, ASP54J, ASP54L, GLU43J, GLU43L, GLU47J, GLU47L, LEU49J, LEU49L, LYS53J, LYS53L, LYS55J, LYS55L, SER52J, SER52L, THR48J, THR48L
• K-L: ALA10K, ALA10L, ALA36K, ALA36L, ALA42K, ALA42L, ALA45K, ALA45L, ALA46K, ALA46L, ALA51K, ALA51L, ALA65K, ALA65L, ARG16K, ARG16L, ARG17K, ARG17L, ARG62K, ARG62L, ARG81K, ARG81L, ARG91K, ARG91L, ARG92K, ARG92L, ASN8K, ASN8L, ASP35K, ASP35L, ASP4K, ASP4L, ASP54K, ASP54L, ASP56K, ASP56L, ASP66K, ASP66L, ASP84K, ASP84L, GLU34K, GLU34L, GLU43K, GLU43L, GLU44K, GLU44L, GLU47K, GLU47L, GLU63K, GLU63L, GLU83K, GLU83L, GLU88K, GLU88L, GLU93K, GLU93L, GLY79K, GLY79L, GLY94K, GLY94L, HIS59K, HIS59L, HIS70K, HIS70L, HIS78K, HIS78L, HIS90K, HIS90L, ILE37K, ILE37L, ILE9K, ILE9L, LEU13K, LEU13L, LEU38K, LEU38L, LEU49K, LEU49L, LEU58K, LEU58L, LEU60K, LEU60L, LEU67K, LEU67L, LEU6K, LEU6L, LEU74K, LEU74L, LEU75K, LEU75L, LEU80K, LEU80L, LEU89K, LEU89L, LYS39K, LYS39L, LYS40K, LYS40L, LYS53K, LYS53L, LYS55K, LYS55L, LYS57K, LYS57L, LYS7K, LYS7L, PHE69K, PHE69L, PRO82K, PRO82L, SER24K, SER24L, SER52K, SER52L, THR12K, THR12L, THR48K, THR48L, THR71K, THR71L, THR76K, THR76L, TRP68K, TRP68L, TYR25K, TYR25L, TYR77K, TYR77L, VAL26K, VAL26L, VAL41K, VAL41L, VAL5K, VAL5L, VAL61K, VAL61L, VAL64K, VAL64L, VAL73K, VAL73L, VAL85K, VAL85L, VAL86K, VAL86L