3LNZ

crystal structure of human mdm2 with a 12-mer peptide inhibitor pmi (n8a mutant)

• Total interactions analyzed: 120
• Total true interactions: 30
• Strongest Interaction:
  • Chains: C-I
  • Int. Res.: 45
  • Norm. En. per Res.: -4.37
• 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	-18.3207	0.0	-169.134	-187.4547	49	4	6	6340	0	3	1
A-G	-26.3185	-1.4617	-103.471	-131.2512	55	9	3	4518	1	19	13
A-H	0.0	0.0	-0.0018	-0.0018	2	0	0	1	0	0	0
A-M	-25.1597	-8.8979	-108.354	-142.4116	46	3	3	4442	0	13	12
A-N	0.0	0.0	-3.1534	-3.1534	8	0	0	189	0	0	0
B-G	0.0	0.0	-2.3587	-2.3587	7	0	0	145	0	0	0
B-M	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
C-D	-9.4664	0.0	-163.467	-172.9334	49	3	5	6231	0	3	2
C-I	-23.2852	-46.4862	-126.88	-196.6513	45	12	2	4710	2	11	12
C-M	0.0	0.0	-0.0035	-0.0035	3	0	0	3	0	1	1
C-O	-7.3604	-57.1576	-115.437	-179.955	47	8	2	4578	4	11	12
C-P	0.0	0.0	-1.0431	-1.0431	7	0	0	119	0	0	0
D-I	0.0	0.0	-1.1671	-1.1671	8	0	0	132	0	0	0
E-F	-25.1783	0.0	-171.139	-196.3173	51	3	5	6342	0	4	2
E-G	-2.2977	3.5602	-140.863	-139.6005	48	8	0	4920	0	7	8
E-H	-9.5426	12.89	-58.421	-55.0736	28	1	2	2091	0	2	1
F-G	-12.8767	5.8785	-65.7663	-72.7645	28	4	2	2209	0	2	1
F-H	0.0	0.0	-0.1087	-0.1087	6	0	0	37	0	0	0
G-H	-11.2363	0.0	-195.105	-206.3413	55	1	6	6945	0	4	1
G-I	0.0	-2.5214	-53.003	-55.5244	36	2	0	2665	0	11	17
G-K	-33.5347	-9.7678	-123.134	-166.4365	50	6	3	4938	0	14	12
G-L	0.0	0.0	-0.037	-0.037	2	0	0	6	0	0	0
H-K	0.0	0.0	-8.2767	-8.2767	11	0	0	435	0	0	0
I-J	-10.6548	0.0	-179.99	-190.6448	52	2	6	6402	0	4	2
I-K	0.0	0.0	-0.3476	-0.3476	7	0	0	75	0	3	4
I-L	0.0	0.0	-0.0054	-0.0054	3	0	0	3	0	0	0
K-L	-19.9668	0.0	-211.33	-231.2968	54	9	6	7415	0	4	2
M-N	-12.0913	0.0	-180.816	-192.9073	52	2	5	6396	0	4	2
M-O	-6.8592	-10.8853	-46.5933	-64.3378	29	3	0	2366	1	11	16
O-P	-10.2014	0.0	-179.467	-189.6684	48	5	5	6451	0	4	2

Interface residues

• A-B: ALA4B, ALA8B, ARG65A, ARG97A, ASP68A, GLN59A, GLN71A, GLN72A, GLU5B, GLU69A, GLU95A, GLY58A, HIS73A, HIS96A, ILE103A, ILE61A, ILE74A, ILE99A, LEU10B, LEU54A, LEU57A, LEU66A, LEU82A, LEU9B, LYS51A, LYS70A, LYS94A, LYS98A, MET102A, MET50A, MET62A, PHE3B, PHE55A, PHE86A, PHE91A, SER11B, SER2B, SER92A, THR1B, THR63A, TRP7B, TYR100A, TYR56A, TYR60A, TYR67A, TYR6B, VAL53A, VAL75A, VAL93A
• A-G: ARG105A, ARG29A, ARG65G, ARG97A, ASN106A, ASN79G, ASP68G, ASP80G, CB8.9417578.06668, CB9.35135-16.42160, CYS77G, GLN71G, GLN72G, GLU25A, GLU25A5, GLU69G, GLU95A, GLU95G, HIS73G, HIS96A, ILE103A, ILE61G, ILE74G, ILE99A, LEU107A, LEU27A, LEU54A, LEU66G, LYS31A, LYS51A, LYS64G, LYS70G, LYS94A, LYS94G, LYS98A, LYS98G, MET102A, MET102G, MET50A, PHE91G, PRO89G, SER78G, SER90G, SER92G, THR101A, THR26A, TYR100A, TYR104A, TYR67G, TYR76G, VAL108A, VAL109A, VAL28A, VAL75G, VAL88G
• A-H: TYR6H, VAL109A
• A-M: ARG105M, ARG29M, ARG65A, ARG97M, ASN106M, ASN79A, ASP68A, ASP80A, CYS77A, GLN71A, GLU69A, GLU95A, GLU95M, HIS73A, HIS96M, ILE103M, ILE61A, ILE74A, ILE99M, LEU107M, LEU54M, LEU66A, LYS31M, LYS64A, LYS70A, LYS94A, LYS94M, LYS98A, LYS98M, MET102M, MET50M, PHE91A, PRO89A, SER78A, SER90A, SER92A, THR101M, TYR100M, TYR104M, TYR67A, TYR76A, VAL108M, VAL109M, VAL28M, VAL75A, VAL93A
• A-N: GLY87A, LEU10N, LEU9N, PRO89A, SER11N, SER78A, SER90A, VAL88A
• B-G: LEU10B, LEU9B, PRO89G, SER11B, SER78G, SER90G, VAL88G
• B-M: TYR6B, VAL109M
• C-D: ALA4D, ALA8D, ARG97C, ASP68C, GLN59C, GLN71C, GLN72C, GLU5D, GLU69C, GLU95C, GLY58C, HIS73C, HIS96C, ILE103C, ILE61C, ILE74C, ILE99C, LEU10D, LEU38C, LEU54C, LEU57C, LEU66C, LEU82C, LEU9D, LYS51C, LYS70C, LYS94C, LYS98C, MET102C, MET50C, MET62C, PHE3D, PHE55C, PHE86C, PHE91C, SER11D, SER2D, SER92C, THR1D, THR63C, TRP7D, TYR100C, TYR56C, TYR60C, TYR67C, TYR6D, VAL53C, VAL75C, VAL93C
• C-I: ARG105C, ARG65I, ARG97C, ASN106C, ASN79I, ASP68I, ASP80I, CYS77I, GLN71I, GLN72I, GLU69I, GLU95C, GLU95I, HIS73I, HIS96C, ILE103C, ILE61I, ILE74I, ILE99C, LEU107C, LEU54C, LEU66I, LYS31C, LYS64I, LYS70I, LYS94C, LYS94I, LYS98C, LYS98I, MET102C, MET50C, PHE91I, PRO89I, SER78I, SER90I, SER92I, THR101C, TYR100C, TYR104C, TYR67I, TYR76I, VAL108C, VAL28C, VAL75I, VAL88I
• C-M: ARG29M, ASP46M, GLN71C
• C-O: ARG105O, ARG65C, ARG97O, ASN106O, ASN79C, ASP68C, ASP80C, CYS77C, GLN71C, GLN72C, GLU69C, GLU95C, GLU95O, HIS73C, HIS96O, ILE103O, ILE61C, ILE74C, ILE99O, LEU107O, LEU27O, LEU54O, LEU66C, LYS31O, LYS51O, LYS64C, LYS70C, LYS94O, LYS98C, LYS98O, MET102O, MET50O, PHE91C, PRO89C, SER78C, SER90C, SER92C, THR101O, THR26O, TYR100O, TYR104O, TYR67C, TYR76C, VAL108O, VAL28O, VAL75C, VAL88C
• C-P: ASN79C, LEU10P, LEU9P, PRO89C, SER11P, SER78C, VAL88C
• D-I: ASN79I, LEU10D, LEU9D, PRO89I, SER11D, SER78I, SER90I, VAL88I
• E-F: ALA4F, ALA8F, ARG97E, ASP68E, GLN59E, GLN71E, GLN72E, GLU5F, GLU69E, GLU95E, GLY58E, HIS73E, HIS96E, ILE103E, ILE61E, ILE74E, ILE99E, LEU10F, LEU34E, LEU37E, LEU38E, LEU54E, LEU57E, LEU66E, LEU82E, LEU9F, LYS51E, LYS70E, LYS94E, LYS98E, MET102E, MET50E, MET62E, PHE3F, PHE55E, PHE86E, PHE91E, SER11F, SER2F, SER92E, THR1F, THR63E, TRP7F, TYR100E, TYR56E, TYR60E, TYR67E, TYR6F, VAL53E, VAL75E, VAL93E
• E-G: ALA43E, ALA43G, ARG65E, ARG65G, ASP68E, ASP68G, GLN44E, GLN44G, GLN59E, GLN59G, GLN71E, GLN71G, GLN72E, GLN72G, GLU69E, GLU69G, GLY42E, GLY42G, GLY58E, GLY58G, ILE61E, ILE61G, LEU38E, LEU38G, LEU66E, LEU66G, LYS39E, LYS39G, LYS64E, LYS64G, LYS70E, LYS70G, MET62E, MET62G, PHE55E, PHE55G, SER40E, SER40G, THR63E, THR63G, TYR56E, TYR56G, TYR60E, TYR60G, TYR67E, TYR67G, VAL41E, VAL41G
• E-H: ALA43E, ALA4H, ALA8H, GLN44E, GLN59E, GLU52E, GLU5H, GLY42E, GLY58E, LEU38E, LEU54E, LEU57E, LEU9H, LYS45E, LYS51E, MET62E, PHE3H, PHE55E, SER2H, THR1H, THR49E, THR63E, TRP7H, TYR48E, TYR56E, TYR60E, TYR6H, VAL41E
• F-G: ALA43G, ALA4F, ALA8F, GLN44G, GLN59G, GLU52G, GLU5F, GLY42G, GLY58G, LEU38G, LEU54G, LEU57G, LEU9F, LYS45G, LYS51G, MET62G, PHE3F, PHE55G, SER2F, THR1F, THR49G, THR63G, TRP7F, TYR48G, TYR56G, TYR60G, TYR6F, VAL41G
• F-H: ALA4F, ALA4H, ALA8F, ALA8H, TRP7F, TRP7H
• G-H: ALA4H, ALA8H, ARG97G, ASP68G, GLN59G, GLN71G, GLN72G, GLU52G, GLU5H, GLU69G, GLU95G, GLY58G, HIS73G, HIS96G, ILE103G, ILE61G, ILE74G, ILE99G, LEU10H, LEU37G, LEU38G, LEU54G, LEU57G, LEU66G, LEU82G, LEU9H, LYS51G, LYS70G, LYS94G, LYS98G, MET50G, MET62G, PHE3H, PHE55G, PHE86G, PHE91G, PRO12H, SER11H, SER2H, SER92G, THR101G, THR1H, THR49G, THR63G, TRP7H, TYR100G, TYR104G, TYR56G, TYR60G, TYR67G, TYR6H, TYR76G, VAL53G, VAL75G, VAL93G
• G-I: ARG105I, ARG29G, ARG29I, ASN106G, ASN106I, ASP46G, ASP46I, ASP84G, ASP84I, LEU107G, LEU107I, LEU33G, LEU33I, LEU34G, LEU34I, LEU35G, LEU35I, LEU37I, LEU81G, LEU81I, LEU85G, LEU85I, LYS31G, LYS31I, LYS36G, LYS36I, LYS39I, PRO30G, PRO30I, PRO32G, PRO32I, THR47G, VAL108G, VAL108I, VAL109G, VAL28G
• G-K: ARG105G, ARG29G, ARG65K, ARG97G, ASN106G, ASN79K, ASP68K, ASP80K, CYS77K, GLN71K, GLU69K, GLU95G, GLU95K, HIS73K, HIS96G, ILE103G, ILE61K, ILE74K, ILE99G, LEU107G, LEU27G, LEU54G, LEU66K, LYS31G, LYS51G, LYS64K, LYS70K, LYS94G, LYS94K, LYS98G, LYS98K, MET102G, MET50G, PHE91K, PRO89K, SER78K, SER90K, SER92K, THR101G, THR26G, TYR100G, TYR104G, TYR67K, TYR76K, VAL108G, VAL109G, VAL28G, VAL75K, VAL88K, VAL93G
• G-L: TYR6L, VAL109G
• H-K: ASN79K, GLY87K, LEU10H, LEU9H, LYS98K, PRO12H, PRO89K, SER11H, SER78K, SER90K, VAL88K
• I-J: ALA4J, ALA8J, ARG65I, ARG97I, ASP68I, GLN59I, GLN71I, GLN72I, GLU52I, GLU5J, GLU69I, GLU95I, GLY58I, HIS73I, HIS96I, ILE103I, ILE61I, ILE74I, ILE99I, LEU10J, LEU37I, LEU38I, LEU54I, LEU57I, LEU66I, LEU82I, LEU9J, LYS51I, LYS70I, LYS94I, LYS98I, MET102I, MET50I, MET62I, PHE3J, PHE55I, PHE86I, PHE91I, SER11J, SER2J, SER92I, THR1J, THR63I, TRP7J, TYR100I, TYR56I, TYR60I, TYR67I, TYR6J, VAL53I, VAL75I, VAL93I
• I-K: ARG29I, ASP46I, GLN44I, GLN71K, LYS39I, LYS70K, LYS94K
• I-L: ASP46I, THR1L, TYR6L
• K-L: ALA4L, ALA8L, ARG97K, ASP68K, GLN59K, GLN71K, GLN72K, GLU52K, GLU5L, GLU69K, GLU95K, GLY58K, HIS73K, HIS96K, ILE103K, ILE61K, ILE74K, ILE99K, LEU10L, LEU38K, LEU54K, LEU57K, LEU66K, LEU82K, LEU9L, LYS51K, LYS70K, LYS94K, LYS98K, MET50K, MET62K, PHE3L, PHE55K, PHE86K, PHE91K, PRO12L, SER11L, SER2L, SER92K, THR101K, THR1L, THR49K, THR63K, TRP7L, TYR100K, TYR104K, TYR56K, TYR60K, TYR67K, TYR6L, TYR76K, VAL53K, VAL75K, VAL93K
• M-N: ALA4N, ALA8N, ARG65M, ARG97M, ASP68M, GLN59M, GLN71M, GLN72M, GLU5N, GLU69M, GLU95M, GLY58M, HIS73M, HIS96M, ILE103M, ILE61M, ILE74M, ILE99M, LEU10N, LEU34M, LEU38M, LEU54M, LEU57M, LEU66M, LEU82M, LEU9N, LYS51M, LYS70M, LYS94M, LYS98M, MET102M, MET50M, MET62M, PHE3N, PHE55M, PHE86M, PHE91M, SER11N, SER2N, SER92M, THR101M, THR1N, THR63M, TRP7N, TYR100M, TYR56M, TYR60M, TYR67M, TYR6N, VAL53M, VAL75M, VAL93M
• M-O: ARG105O, ARG29M, ARG29O, ASN106M, ASN106O, ASP46M, ASP46O, ASP84O, LEU107M, LEU107O, LEU33M, LEU33O, LEU34O, LEU35M, LEU35O, LEU37O, LEU81O, LEU85O, LYS31M, LYS31O, LYS36M, LYS36O, PRO30M, PRO30O, PRO32M, PRO32O, THR47M, VAL108M, VAL108O
• O-P: ALA4P, ALA8P, ARG97O, ASP68O, GLN59O, GLN71O, GLN72O, GLU5P, GLU69O, GLU95O, GLY58O, HIS73O, HIS96O, ILE103O, ILE61O, ILE74O, ILE99O, LEU10P, LEU38O, LEU54O, LEU57O, LEU66O, LEU82O, LEU9P, LYS51O, LYS70O, LYS94O, MET102O, MET50O, MET62O, PHE3P, PHE55O, PHE86O, PHE91O, SER11P, SER2P, SER92O, THR1P, THR63O, TRP7P, TYR100O, TYR56O, TYR60O, TYR67O, TYR6P, VAL53O, VAL75O, VAL93O