2GL0

structure of pae2307 in complex with adenosine

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 144
  • Norm. En. per Res.: -6.1394
• 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	-152.1723	-116.1631	-535.31	-803.6454	148	36	15	21666	15	69	65
A-C	-175.2353	-169.1452	-539.688	-884.0684	144	34	14	21960	16	68	64
A-D	0.0	2.5688	-34.3164	-31.7476	20	1	0	1807	0	4	23
A-E	0.0	49.8574	-11.9766	37.8808	28	0	0	824	0	6	11
A-F	-25.8482	-32.7264	-193.298	-251.8726	84	10	5	7549	4	27	8
B-C	-190.96	-152.1459	-525.625	-868.7309	145	37	14	21774	13	67	69
B-D	0.0	36.0334	-11.2109	24.8225	28	0	0	848	0	6	11
B-E	-39.7431	-38.7035	-198.725	-277.1716	81	12	5	7591	4	27	9
B-F	-12.2943	2.374	-33.6423	-43.5626	17	0	0	1881	0	4	24
C-D	-23.8375	-34.3428	-183.89	-242.0703	85	15	5	7557	4	26	8
C-E	-9.7665	2.7871	-32.698	-39.6774	18	4	0	1870	0	4	23
C-F	0.0	51.5452	-11.4747	40.0705	26	0	0	833	0	6	11
D-E	-203.4215	-135.4097	-526.269	-865.1003	146	28	15	21713	17	64	66
D-F	-145.627	-118.5633	-544.519	-808.7093	142	24	16	21883	17	67	64
E-F	-186.1743	-123.1809	-526.115	-835.4702	144	35	14	22076	14	67	64

Interface residues

• A-B: ALA102A, ALA102B, ALA114B, ALA115B, ALA117B, ALA125A, ALA125B, ALA26A, ALA38A, ALA51A, ALA55A, ALA65A, ALA82A, ALA83A, ARG111A, ARG111B, ARG131A, ARG132A, ARG152B, ARG155B, ARG160B, ARG59A, ARG62A, ARG71A, ASN101A, ASN101B, ASN105A, ASN105B, ASN118B, ASN20B, ASN72A, ASN98B, ASP12B, ASP139B, ASP151B, ASP34A, ASP76A, CYS53A, CYS78A, GLN25A, GLU108A, GLU126A, GLU128A, GLU130A, GLU147B, GLU149B, GLU153B, GLU154B, GLU33A, GLU37A, GLU54A, GLU64A, GLU9B, GLY133A, GLY136A, GLY136B, GLY140B, GLY145B, GLY24B, GLY57A, GLY84A, HIS141B, HIS27A, HIS63A, HIS85A, ILE103A, ILE112A, ILE112B, ILE11B, ILE123A, ILE123B, ILE15B, ILE22B, ILE23B, ILE29A, ILE50A, ILE6A, ILE6B, ILE75A, ILE81A, ILE91B, ILE97B, LEU100B, LEU10B, LEU120B, LEU144B, LEU159B, LEU167B, LEU35A, LEU60A, LEU77A, LYS104A, LYS104B, LYS121B, LYS150B, LYS156B, LYS157B, LYS164B, LYS166B, LYS30A, LYS58A, LYS79A, LYS7A, LYS7B, LYS80A, PHE113A, PHE113B, PHE158B, PHE28A, PHE52A, PHE8A, PHE8B, PRO107A, PRO119B, PRO129A, PRO143B, PRO96B, SER142B, SER56A, SER5A, THR116B, THR148B, THR31A, TRP95B, TYR165B, TYR36A, VAL106A, VAL109A, VAL110A, VAL122B, VAL124A, VAL124B, VAL127A, VAL134A, VAL134B, VAL135A, VAL135B, VAL137B, VAL138B, VAL13B, VAL146B, VAL162B, VAL163B, VAL21B, VAL32A, VAL61A, VAL86A, VAL99B
• A-C: ALA102A, ALA102C, ALA114A, ALA115A, ALA117A, ALA125A, ALA125C, ALA26C, ALA38C, ALA51C, ALA55C, ALA65C, ALA82C, ALA83C, ARG111A, ARG111C, ARG131C, ARG132C, ARG152A, ARG155A, ARG160A, ARG59C, ARG62C, ARG71C, ASN101A, ASN105A, ASN105C, ASN118A, ASN20A, ASN72C, ASN98A, ASP12A, ASP139A, ASP151A, ASP34C, ASP76C, CYS53C, CYS78C, GLN25C, GLU108C, GLU126C, GLU128C, GLU130C, GLU147A, GLU149A, GLU153A, GLU154A, GLU33C, GLU37C, GLU54C, GLU64C, GLU9A, GLY133C, GLY136A, GLY136C, GLY140A, GLY145A, GLY24A, GLY57C, GLY84C, HIS141A, HIS27C, HIS63C, HIS85C, ILE103C, ILE112A, ILE112C, ILE11A, ILE123A, ILE15A, ILE22A, ILE23A, ILE29C, ILE50C, ILE6A, ILE6C, ILE75C, ILE81C, ILE91A, ILE97A, LEU100A, LEU10A, LEU120A, LEU144A, LEU159A, LEU167A, LEU35C, LEU60C, LEU77C, LYS104A, LYS104C, LYS121A, LYS150A, LYS156A, LYS157A, LYS164A, LYS166A, LYS30C, LYS58C, LYS79C, LYS7A, LYS7C, LYS80C, PHE113A, PHE113C, PHE158A, PHE28C, PHE52C, PHE8A, PHE8C, PRO107C, PRO119A, PRO129C, PRO143A, PRO96A, SER142A, SER56C, THR116A, THR148A, THR31C, TRP95A, TYR165A, TYR36C, VAL106C, VAL109C, VAL110C, VAL122A, VAL124A, VAL124C, VAL127C, VAL134A, VAL134C, VAL135A, VAL135C, VAL137A, VAL138A, VAL13A, VAL146A, VAL163A, VAL21A, VAL32C, VAL61C, VAL86C, VAL99A
• A-D: ARG152A, ARG152D, ARG155A, ARG155D, ARG160A, ARG160D, ASN105A, ASN105D, GLU153D, LEU159A, LEU159D, LEU167A, LEU167D, LYS156A, LYS156D, LYS164A, LYS166A, LYS166D, TYR165A, TYR165D
• A-E: ALA102A, ALA102E, ALA38A, ALA38E, ASN101A, ASN101E, ASN105A, ASN105E, ASP34A, ASP34E, GLU108A, GLU108E, GLU33A, GLU33E, GLU37A, GLU37E, LYS30A, LYS30E, PHE28A, PHE28E, PRO107A, PRO107E, SER42A, SER42E, THR41A, THR41E, VAL40A, VAL40E
• A-F: ALA102A, ALA102F, ALA38A, ALA38F, ALA65A, ALA65F, ALA94A, ALA94F, ARG160A, ARG160F, ARG92A, ARG92F, ASN101A, ASN101F, ASN105A, ASN105F, ASN66A, ASN66F, ASN93A, ASN93F, ASN98A, ASN98F, ASP34A, ASP34F, GLU161A, GLU33A, GLU33F, GLU37A, GLU37F, GLU64A, GLU64F, GLY45A, GLY45F, HIS63A, HIS63F, ILE50A, ILE50F, ILE91A, ILE97A, ILE97F, LEU100A, LEU100F, LEU159A, LEU159F, LEU167A, LEU167F, LEU35A, LEU35F, LEU39A, LEU39F, LYS164A, LYS164F, LYS166A, LYS166F, LYS30A, LYS30F, PHE48A, PHE48F, PRO44A, PRO44F, PRO96A, PRO96F, SER42A, SER42F, THR41A, THR41F, TRP95A, TRP95F, TYR165A, TYR165F, TYR36A, TYR36F, VAL163A, VAL163F, VAL32A, VAL32F, VAL40A, VAL40F, VAL43A, VAL43F, VAL46A, VAL46F, VAL99A, VAL99F
• B-C: ALA102B, ALA102C, ALA114C, ALA115C, ALA117C, ALA125B, ALA125C, ALA26B, ALA38B, ALA51B, ALA55B, ALA65B, ALA82B, ALA83B, ARG111B, ARG111C, ARG131B, ARG132B, ARG152C, ARG155C, ARG160C, ARG59B, ARG62B, ARG71B, ASN101B, ASN101C, ASN105B, ASN105C, ASN118C, ASN20C, ASN72B, ASN98C, ASP12C, ASP139C, ASP151C, ASP34B, ASP76B, CYS53B, CYS78B, GLN25B, GLU108B, GLU126B, GLU128B, GLU130B, GLU147C, GLU149C, GLU153C, GLU154C, GLU33B, GLU37B, GLU54B, GLU64B, GLU9C, GLY133B, GLY136B, GLY136C, GLY140C, GLY145C, GLY24C, GLY57B, GLY84B, HIS141C, HIS27B, HIS63B, HIS85B, ILE103B, ILE112B, ILE112C, ILE11C, ILE123B, ILE123C, ILE22C, ILE23C, ILE29B, ILE50B, ILE6B, ILE6C, ILE75B, ILE81B, ILE91C, ILE97C, LEU100C, LEU10C, LEU120C, LEU144C, LEU159C, LEU167C, LEU35B, LEU60B, LEU77B, LYS104B, LYS104C, LYS121C, LYS150C, LYS156C, LYS157C, LYS164C, LYS166C, LYS30B, LYS58B, LYS79B, LYS7B, LYS80B, PHE113B, PHE113C, PHE158C, PHE28B, PHE52B, PHE8B, PHE8C, PRO107B, PRO119C, PRO129B, PRO143C, PRO96C, SER142C, SER56B, SER5B, THR116C, THR148C, THR31B, TRP95C, TYR165C, TYR36B, VAL106B, VAL109B, VAL110B, VAL122C, VAL124B, VAL124C, VAL127B, VAL134B, VAL134C, VAL135B, VAL135C, VAL137C, VAL138C, VAL13C, VAL146C, VAL163C, VAL21C, VAL32B, VAL61B, VAL86B, VAL99C
• B-D: ALA102B, ALA102D, ALA38B, ALA38D, ASN101B, ASN101D, ASN105B, ASN105D, ASP34B, ASP34D, GLU108B, GLU108D, GLU33B, GLU33D, GLU37B, GLU37D, LYS30B, LYS30D, PHE28B, PHE28D, PRO107B, PRO107D, SER42B, SER42D, THR41B, THR41D, VAL40B, VAL40D
• B-E: ALA102B, ALA102E, ALA38B, ALA38E, ALA65B, ALA65E, ALA94B, ALA94E, ARG160B, ARG160E, ARG71B, ARG92B, ARG92E, ASN101B, ASN101E, ASN105B, ASN105E, ASN66B, ASN66E, ASN93B, ASN93E, ASN98B, ASN98E, ASP34B, ASP34E, GLU33B, GLU33E, GLU37B, GLU37E, GLU64B, GLU64E, GLY45B, GLY45E, HIS63B, HIS63E, ILE50B, ILE50E, ILE97B, ILE97E, LEU159B, LEU159E, LEU167B, LEU167E, LEU35B, LEU35E, LEU39B, LEU39E, LYS164B, LYS164E, LYS166B, LYS166E, LYS30B, LYS30E, LYS47B, PHE48B, PHE48E, PRO44B, PRO44E, PRO96B, SER42B, SER42E, THR41B, THR41E, TRP95B, TRP95E, TYR165B, TYR165E, TYR36B, TYR36E, VAL163B, VAL163E, VAL32B, VAL32E, VAL40B, VAL40E, VAL43B, VAL43E, VAL46B, VAL46E, VAL99B, VAL99E
• B-F: ARG152B, ARG152F, ARG155B, ARG155F, ARG160B, ARG160F, GLU153B, LEU159B, LEU159F, LEU167B, LEU167F, LYS156B, LYS156F, LYS166B, LYS166F, TYR165B, TYR165F
• C-D: ALA102C, ALA102D, ALA38C, ALA38D, ALA65C, ALA65D, ALA94C, ALA94D, ARG160C, ARG160D, ARG71C, ARG71D, ARG92C, ARG92D, ASN101C, ASN101D, ASN105C, ASN105D, ASN66C, ASN66D, ASN93C, ASN93D, ASN98C, ASN98D, ASP34C, ASP34D, GLU33C, GLU33D, GLU37C, GLU37D, GLU64C, GLU64D, GLY45C, GLY45D, HIS63C, HIS63D, ILE50C, ILE50D, ILE91C, ILE97C, ILE97D, LEU100D, LEU159C, LEU159D, LEU167C, LEU167D, LEU35C, LEU35D, LEU39C, LEU39D, LYS164C, LYS164D, LYS166C, LYS166D, LYS30C, LYS47C, LYS47D, PHE48C, PHE48D, PRO44C, PRO44D, PRO96C, PRO96D, SER42C, SER42D, THR41C, THR41D, TRP95C, TRP95D, TYR165C, TYR165D, TYR36C, TYR36D, VAL163C, VAL163D, VAL32C, VAL32D, VAL40C, VAL40D, VAL43C, VAL43D, VAL46C, VAL46D, VAL99C, VAL99D
• C-E: ARG152C, ARG152E, ARG155C, ARG155E, ARG160C, ARG160E, ASN105C, ASN105E, LEU159C, LEU159E, LEU167C, LEU167E, LYS156C, LYS156E, LYS166C, LYS166E, TYR165C, TYR165E
• C-F: ALA102C, ALA102F, ALA38C, ALA38F, ASN105C, ASN105F, ASP34C, ASP34F, GLU108C, GLU108F, GLU33C, GLU33F, GLU37C, GLU37F, LYS30C, LYS30F, PHE28C, PHE28F, PRO107C, PRO107F, SER42C, SER42F, THR41C, THR41F, VAL40C, VAL40F
• D-E: ALA102D, ALA102E, ALA114E, ALA115E, ALA117E, ALA125D, ALA125E, ALA26D, ALA38D, ALA51D, ALA55D, ALA65D, ALA82D, ALA83D, ARG111D, ARG111E, ARG131D, ARG132D, ARG152E, ARG155E, ARG160E, ARG59D, ARG62D, ARG71D, ASN101D, ASN101E, ASN105D, ASN105E, ASN118E, ASN20E, ASN72D, ASN98E, ASP12E, ASP139E, ASP151E, ASP34D, ASP76D, CYS53D, CYS78D, GLN25D, GLU108D, GLU126D, GLU128D, GLU130D, GLU147E, GLU149E, GLU153E, GLU154E, GLU33D, GLU37D, GLU54D, GLU64D, GLU9E, GLY133D, GLY136D, GLY136E, GLY140E, GLY145E, GLY24E, GLY57D, GLY84D, HIS141E, HIS27D, HIS63D, HIS85D, ILE103D, ILE103E, ILE112D, ILE112E, ILE11E, ILE123D, ILE123E, ILE22E, ILE23E, ILE29D, ILE50D, ILE6D, ILE6E, ILE75D, ILE81D, ILE91E, ILE97E, LEU100E, LEU10E, LEU120E, LEU144E, LEU159E, LEU167E, LEU35D, LEU60D, LYS104D, LYS104E, LYS121E, LYS150E, LYS156E, LYS157E, LYS164E, LYS166E, LYS30D, LYS58D, LYS79D, LYS7D, LYS7E, LYS80D, PHE113D, PHE113E, PHE158E, PHE28D, PHE52D, PHE8D, PHE8E, PRO107D, PRO119E, PRO129D, PRO143E, PRO96E, SER142E, SER56D, SER5D, THR116E, THR148E, THR31D, TRP95E, TYR165E, TYR36D, VAL106D, VAL109D, VAL110D, VAL122E, VAL124D, VAL124E, VAL127D, VAL134D, VAL134E, VAL135D, VAL135E, VAL137E, VAL138E, VAL13E, VAL146E, VAL163E, VAL21E, VAL32D, VAL61D, VAL86D, VAL99E
• D-F: ALA102D, ALA102F, ALA114D, ALA115D, ALA117D, ALA125D, ALA125F, ALA26F, ALA38F, ALA51F, ALA55F, ALA65F, ALA82F, ALA83F, ARG111D, ARG111F, ARG131F, ARG132F, ARG152D, ARG155D, ARG160D, ARG59F, ARG62F, ARG71F, ASN101D, ASN105D, ASN105F, ASN118D, ASN20D, ASN72F, ASN98D, ASP12D, ASP139D, ASP151D, ASP34F, ASP76F, CYS53F, CYS78F, GLN25F, GLU108F, GLU126F, GLU128F, GLU130F, GLU147D, GLU149D, GLU153D, GLU154D, GLU33F, GLU37F, GLU54F, GLU64F, GLU9D, GLY133F, GLY136D, GLY136F, GLY140D, GLY145D, GLY24D, GLY57F, GLY84F, HIS141D, HIS27F, HIS63F, HIS85F, ILE103F, ILE112D, ILE112F, ILE11D, ILE123D, ILE123F, ILE22D, ILE23D, ILE29F, ILE50F, ILE6D, ILE6F, ILE75F, ILE81F, ILE91D, ILE97D, LEU100D, LEU10D, LEU120D, LEU144D, LEU159D, LEU167D, LEU35F, LEU60F, LEU77F, LYS104D, LYS104F, LYS121D, LYS150D, LYS156D, LYS157D, LYS164D, LYS166D, LYS30F, LYS58F, LYS79F, LYS7D, LYS7F, LYS80F, PHE113D, PHE113F, PHE158D, PHE28F, PHE52F, PHE8D, PHE8F, PRO107F, PRO119D, PRO129F, PRO143D, PRO96D, SER142D, SER56F, THR116D, THR148D, THR31F, TRP95D, TYR165D, TYR36F, VAL106F, VAL109F, VAL110F, VAL122D, VAL124D, VAL124F, VAL127F, VAL134D, VAL134F, VAL135D, VAL135F, VAL137D, VAL138D, VAL146D, VAL163D, VAL32F, VAL61F, VAL86F, VAL99D
• E-F: ALA102E, ALA102F, ALA114F, ALA115F, ALA117F, ALA125E, ALA125F, ALA26E, ALA38E, ALA51E, ALA55E, ALA65E, ALA82E, ALA83E, ARG111E, ARG111F, ARG131E, ARG132E, ARG152F, ARG155F, ARG160F, ARG59E, ARG62E, ARG71E, ASN101F, ASN105E, ASN105F, ASN118F, ASN20F, ASN72E, ASN98F, ASP12F, ASP139F, ASP151F, ASP34E, ASP76E, CYS53E, CYS78E, GLN25E, GLU108E, GLU126E, GLU128E, GLU130E, GLU147F, GLU149F, GLU153F, GLU154F, GLU33E, GLU37E, GLU54E, GLU64E, GLU9F, GLY133E, GLY136E, GLY136F, GLY140F, GLY145F, GLY24F, GLY57E, GLY84E, HIS141F, HIS27E, HIS63E, HIS85E, ILE103E, ILE112E, ILE112F, ILE11F, ILE123F, ILE22F, ILE23F, ILE29E, ILE50E, ILE6E, ILE6F, ILE75E, ILE81E, ILE91F, ILE97F, LEU100F, LEU10F, LEU120F, LEU144F, LEU159F, LEU167F, LEU35E, LEU60E, LYS104E, LYS104F, LYS121F, LYS150F, LYS156F, LYS157F, LYS164F, LYS166F, LYS30E, LYS58E, LYS79E, LYS7E, LYS7F, LYS80E, PHE113E, PHE113F, PHE158F, PHE28E, PHE52E, PHE8E, PHE8F, PRO107E, PRO119F, PRO129E, PRO143F, PRO96F, SER142F, SER56E, SER5E, THR116F, THR148F, THR31E, TRP95F, TYR165F, TYR36E, VAL106E, VAL109E, VAL110E, VAL122F, VAL124E, VAL124F, VAL127E, VAL134E, VAL134F, VAL135E, VAL135F, VAL137F, VAL138F, VAL13F, VAL146F, VAL162F, VAL163F, VAL21F, VAL32E, VAL61E, VAL86E, VAL99F