3LYU

crystal structure of the c-terminal domain (residues 83-215) of pf1911 hydrogenase from pyrococcus furiosus, northeast structural genomics consortium target pfr246a

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 7
  • Norm. En. per Res.: -3.7913
• Hub Node: A(4)

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	0.0	-182.543	-182.543	101	8	9	8055	0	8	10
A-C	-2.668	-18.2863	1.2367	-19.7176	7	3	0	247	2	2	2
A-E	-5.9686	-16.2132	-3.3837	-25.5655	7	2	0	230	2	2	3
A-F	-28.9172	28.2313	-149.803	-150.4889	57	15	4	5844	0	12	9
B-C	-30.6071	31.8746	-152.374	-151.1065	56	16	4	5739	0	12	8
B-D	-2.6486	-19.0525	0.5145	-21.1865	7	3	0	224	2	2	3
B-F	0.0	-17.7255	-1.6758	-19.4013	7	2	0	211	2	1	4
C-D	0.0	0.0	-192.098	-192.098	102	13	9	8511	0	9	12
C-E	-5.4094	-19.6784	0.3904	-24.6974	7	2	0	285	2	2	4
D-E	-31.2063	31.2015	-140.448	-140.4529	57	14	4	5609	0	14	8
D-F	-5.5388	-17.0942	-3.9061	-26.5392	7	2	0	180	2	2	4
E-F	0.0	6.9319	-174.677	-167.7451	103	12	8	8524	0	11	12

Interface residues

• A-B: ALA107A, ALA107B, ALA167A, ALA167B, ASN160A, ASN160B, ASN168A, ASN168B, ASP164A, ASP164B, ASP200A, ASP200B, GLN163A, GLN163B, GLN201A, GLN201B, GLN203A, GLN203B, GLU113A, GLU113B, GLU136A, GLU136B, GLU144A, GLU144B, GLU206A, GLU206B, GLU217B, GLY110A, GLY110B, GLY196A, GLY196B, GLY199A, GLY199B, GLY88A, GLY88B, GLY91A, GLY91B, HIS132A, HIS132B, HIS218B, ILE111A, ILE111B, ILE117A, ILE117B, ILE140A, ILE140B, LEU141A, LEU141B, LEU159A, LEU159B, LEU166A, LEU166B, LEU216A, LEU216B, LEU90A, LEU90B, LYS142A, LYS202A, LYS202B, LYS209A, LYS209B, PHE135A, PHE135B, PHE165A, PHE165B, PHE205A, PHE205B, PRO116A, PRO116B, PRO137A, PRO137B, PRO161A, PRO161B, PRO197A, PRO197B, PRO89A, PRO89B, PRO93A, PRO93B, THR109A, THR109B, THR134A, THR134B, THR92A, THR92B, TYR108A, TYR108B, VAL112A, VAL112B, VAL114A, VAL114B, VAL139A, VAL139B, VAL172A, VAL172B, VAL195A, VAL195B, VAL198A, VAL198B, VAL204A, VAL204B
• A-C: GLU97C, GLY199A, LYS202A, LYS98C, PHE99C, PRO95C, VAL198A
• A-E: GLU97A, GLY199E, LYS202E, LYS98A, PHE99A, PRO95A, VAL198E
• A-F: ALA118A, ALA118F, ALA120A, ALA120F, ALA148A, ALA148F, ASN126A, ASN126F, GLN122A, GLN122F, GLU113A, GLU113F, GLU123A, GLU123F, GLU97A, GLU97F, GLY125A, GLY125F, GLY88A, GLY88F, GLY91A, GLY91F, ILE117A, ILE117F, ILE124A, ILE124F, LEU191A, LEU191F, LEU216A, LEU216F, LEU90A, LEU90F, LYS119A, LYS119F, LYS98A, LYS98F, PHE99A, PHE99F, PRO116A, PRO116F, PRO214A, PRO89A, PRO89F, PRO93A, PRO93F, PRO95A, PRO95F, THR92A, THR92F, TRP121A, TRP121F, TYR115A, TYR115F, VAL114A, VAL114F, VAL94A, VAL94F
• B-C: ALA118B, ALA118C, ALA120B, ALA120C, ALA148B, ALA148C, ASN126B, ASN126C, GLN122B, GLN122C, GLU113B, GLU113C, GLU123B, GLU123C, GLU97B, GLU97C, GLY125B, GLY125C, GLY91B, GLY91C, ILE117B, ILE117C, ILE124B, ILE124C, LEU191B, LEU191C, LEU216B, LEU216C, LEU90B, LEU90C, LYS119B, LYS119C, LYS98B, LYS98C, PHE99B, PHE99C, PRO116B, PRO116C, PRO214B, PRO214C, PRO89B, PRO89C, PRO93B, PRO93C, PRO95B, PRO95C, THR92B, THR92C, TRP121B, TRP121C, TYR115B, TYR115C, VAL114B, VAL114C, VAL94B, VAL94C
• B-D: GLU97B, GLY199D, LYS202D, LYS98B, PHE99B, PRO95B, VAL198D
• B-F: GLU97F, GLY199B, LYS202B, LYS98F, PHE99F, PRO95F, VAL198B
• C-D: ALA107C, ALA107D, ALA167C, ALA167D, ASN160C, ASN160D, ASN168C, ASN168D, ASP164C, ASP164D, ASP200C, ASP200D, GLN163C, GLN163D, GLN201C, GLN201D, GLN203C, GLN203D, GLU113C, GLU113D, GLU136C, GLU136D, GLU144C, GLU144D, GLU206C, GLU206D, GLU217C, GLU217D, GLY110C, GLY110D, GLY196C, GLY196D, GLY199C, GLY199D, GLY88C, GLY88D, GLY91C, GLY91D, HIS132C, HIS132D, HIS218D, ILE111C, ILE111D, ILE117C, ILE117D, ILE140C, ILE140D, LEU141C, LEU141D, LEU159C, LEU159D, LEU166C, LEU166D, LEU216C, LEU216D, LEU90C, LEU90D, LYS142D, LYS202C, LYS202D, LYS209C, LYS209D, PHE135C, PHE135D, PHE165C, PHE165D, PHE205C, PHE205D, PRO116C, PRO116D, PRO137C, PRO137D, PRO161C, PRO161D, PRO197C, PRO197D, PRO89C, PRO89D, PRO93C, PRO93D, THR109C, THR109D, THR134C, THR134D, THR92C, THR92D, TYR108C, TYR108D, VAL112C, VAL112D, VAL114C, VAL114D, VAL139C, VAL139D, VAL172C, VAL172D, VAL195C, VAL195D, VAL198C, VAL198D, VAL204C, VAL204D
• C-E: GLU97E, GLY199C, LYS202C, LYS98E, PHE99E, PRO95E, VAL198C
• D-E: ALA118D, ALA118E, ALA120D, ALA120E, ALA148D, ALA148E, ASN126D, ASN126E, GLN122D, GLN122E, GLU113D, GLU113E, GLU123D, GLU123E, GLU97D, GLU97E, GLY125D, GLY125E, GLY88D, GLY88E, GLY91D, GLY91E, ILE117D, ILE117E, ILE124D, ILE124E, LEU191D, LEU191E, LEU216D, LEU216E, LEU90D, LEU90E, LYS119D, LYS119E, LYS98D, LYS98E, PHE99D, PHE99E, PRO116D, PRO116E, PRO214D, PRO214E, PRO89D, PRO89E, PRO93D, PRO93E, PRO95D, PRO95E, THR92D, THR92E, TRP121D, TRP121E, TYR115D, TYR115E, VAL114D, VAL94D, VAL94E
• D-F: GLU97D, GLY199F, LYS202F, LYS98D, PHE99D, PRO95D, VAL198F
• E-F: ALA107E, ALA107F, ALA167E, ALA167F, ASN160E, ASN160F, ASN168E, ASN168F, ASP164E, ASP164F, ASP200E, ASP200F, GLN163E, GLN163F, GLN201E, GLN201F, GLN203E, GLN203F, GLU113E, GLU113F, GLU136E, GLU136F, GLU144E, GLU144F, GLU206E, GLU206F, GLU217E, GLU217F, GLY110E, GLY110F, GLY196E, GLY196F, GLY199E, GLY199F, GLY88E, GLY88F, GLY91E, GLY91F, HIS132E, HIS132F, HIS218E, HIS218F, ILE111E, ILE111F, ILE117E, ILE117F, ILE140E, ILE140F, LEU141E, LEU141F, LEU159E, LEU159F, LEU166E, LEU166F, LEU216E, LEU216F, LEU90E, LEU90F, LYS202E, LYS202F, LYS209E, LYS209F, PHE135E, PHE135F, PHE165E, PHE165F, PHE193E, PHE205E, PHE205F, PRO116E, PRO116F, PRO137E, PRO137F, PRO161E, PRO161F, PRO197E, PRO197F, PRO89E, PRO89F, PRO93E, PRO93F, THR109E, THR109F, THR134E, THR134F, THR92E, THR92F, TYR108E, TYR108F, VAL112E, VAL112F, VAL114E, VAL114F, VAL139E, VAL139F, VAL172E, VAL172F, VAL195E, VAL195F, VAL198E, VAL198F, VAL204E, VAL204F