3BE7

crystal structure of zn-dependent arginine carboxypeptidase

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 81
  • Norm. En. per Res.: -4.1477
• 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	-21.1634	33.9025	-261.813	-249.0738	93	4	15	10463	8	28	24
A-C	-52.586	-60.4005	-222.977	-335.9636	81	5	0	8624	7	41	38
A-D	-34.1533	10.1639	-174.936	-198.9254	70	6	6	6277	0	24	18
A-G	-45.9972	-58.6857	-216.888	-321.5709	81	7	0	8456	6	41	38
B-C	-38.2588	-1.0024	-190.736	-229.9972	68	6	6	6507	0	23	18
B-D	-44.1909	-60.7654	-222.649	-327.6053	80	10	0	8478	5	41	38
B-H	-47.2374	-59.8684	-220.944	-328.0498	80	9	0	8517	6	41	36
C-F	-36.0383	-60.9911	-211.871	-308.9004	81	6	0	8216	7	39	33
C-H	-24.2407	31.3777	-266.216	-259.0791	91	8	15	10624	8	28	25
D-E	-48.7299	-62.7764	-216.988	-328.4943	82	10	0	8455	6	40	37
D-G	-25.5871	32.358	-257.842	-251.0711	94	6	15	10430	8	28	24
E-F	-26.7473	29.7028	-264.878	-261.9225	91	7	15	10618	8	28	25
E-G	-34.2517	-7.2994	-170.704	-212.2551	70	4	6	6240	0	22	18
E-H	-54.8835	-63.5827	-209.639	-328.1052	82	9	0	8400	7	38	37
F-G	-48.7296	-64.8957	-210.457	-324.0822	82	8	0	8511	7	41	37
F-H	-25.5454	-2.8761	-152.805	-181.2265	66	7	6	5898	0	21	18

Interface residues

• A-B: ALA108A, ALA108B, ALA111A, ALA111B, ALA118A, ALA118B, ALA77A, ALA77B, ARG116A, ARG116B, ARG121A, ARG121B, ASN109A, ASN109B, ASN125A, ASN125B, ASN68A, ASN68B, ASN90A, ASN90B, ASP112A, ASP112B, ASP117A, ASP117B, ASP69A, ASP69B, ASP78A, ASP78B, GLU120A, GLU120B, GLU157B, GLU73A, GLU73B, GLU74A, GLU74B, GLU92A, GLU92B, GLY122A, GLY122B, GLY72A, GLY72B, GLY83A, GLY83B, GLY87A, GLY87B, HIS81A, HIS81B, ILE119A, ILE119B, ILE124A, ILE124B, ILE76A, ILE76B, LYS175A, LYS175B, LYS71A, LYS71B, LYS93A, LYS93B, MET82A, MET82B, SER114A, SER114B, SER70A, SER70B, SER75A, SER75B, SER79A, SER79B, SER80A, SER80B, THR84A, THR84B, TRP86A, TRP86B, TYR110A, TYR110B, TYR176A, TYR176B, VAL113A, VAL113B, VAL115A, VAL115B, VAL123A, VAL123B, VAL66A, VAL66B, VAL85A, VAL85B, VAL88A, VAL88B, VAL89A, VAL89B
• A-C: ALA111A, ALA166C, ALA178A, ALA185C, ALA198C, ALA208A, ARG116A, ARG121A, ARG167A, ARG171A, ARG174A, ARG192C, ASN109A, ASN146C, ASN153C, ASN173A, ASN193C, ASN197C, ASN215A, ASP117A, ASP144C, ASP161C, ASP195C, ASP211A, GLN200C, GLU151C, GLU157A, GLU165A, GLU165C, GLU204C, GLU205C, GLU212A, GLY137C, GLY140C, GLY141C, GLY177A, GLY187C, GLY188C, GLY217A, HIS142C, HIS145C, HIS214A, HIS216A, HIS81A, ILE138C, ILE228C, LEU147C, LEU148C, LEU203C, LYS168A, LYS172A, LYS175A, LYS199C, LYS288C, MET169A, MET206C, MET218A, PHE152C, PHE201C, PRO149C, PRO150C, PRO163A, PRO163C, SER114A, SER155C, SER156C, SER162C, SER191C, THR139C, THR186C, THR194C, THR202C, TRP164A, TRP164C, TYR110A, TYR154C, TYR176A, VAL113A, VAL159C, VAL160C, VAL170A
• A-D: ALA108D, ALA277D, ALA77A, ALA77D, ARG192A, ARG192D, ARG282A, ARG282D, ASN109A, ASN109D, ASN146A, ASN146D, ASN153A, ASN153D, ASN193A, ASN193D, ASN68A, ASN68D, ASP78A, ASP78D, GLU151A, GLU151D, GLU283A, GLU283D, GLU284A, GLU284D, GLU73A, GLU73D, GLU74A, GLU74D, GLY280A, GLY280D, GLY72A, GLY72D, HIS145A, HIS145D, HIS81A, HIS81D, ILE281A, ILE281D, ILE76A, ILE76D, LEU147A, LEU147D, LEU148A, LEU148D, LEU286A, LEU286D, MET82A, MET82D, PHE152A, PHE152D, PRO149A, PRO149D, PRO150A, PRO150D, SER155A, SER155D, SER156A, SER156D, SER285A, SER285D, SER75A, SER75D, SER79A, SER79D, SER80A, SER80D, TYR154A, TYR154D
• A-G: ALA111G, ALA166A, ALA178G, ALA185A, ALA198A, ALA208G, ARG116G, ARG121G, ARG167G, ARG171G, ARG174G, ARG192A, ASN109G, ASN146A, ASN153A, ASN173G, ASN193A, ASN197A, ASN215G, ASP117G, ASP144A, ASP161A, ASP195A, ASP211G, GLN200A, GLU151A, GLU157G, GLU165A, GLU165G, GLU204A, GLU205A, GLU212G, GLY137A, GLY140A, GLY141A, GLY177G, GLY187A, GLY188A, GLY217G, HIS142A, HIS145A, HIS214G, HIS216G, HIS81G, ILE138A, ILE228A, LEU147A, LEU148A, LEU203A, LYS168G, LYS172G, LYS175G, LYS199A, LYS288A, MET169G, MET206A, PHE152A, PHE201A, PRO149A, PRO150A, PRO163A, PRO163G, SER114G, SER155A, SER156A, SER162A, SER162G, SER191A, THR139A, THR186A, THR194A, THR202A, TRP164A, TRP164G, TYR110G, TYR154A, TYR176G, VAL113G, VAL159A, VAL160A, VAL170G
• B-C: ALA277B, ALA77B, ALA77C, ARG192B, ARG192C, ARG282B, ARG282C, ASN109B, ASN109C, ASN146B, ASN146C, ASN153C, ASN193B, ASN193C, ASN287C, ASN68B, ASN68C, ASP78B, ASP78C, GLU151B, GLU151C, GLU283B, GLU283C, GLU284B, GLU284C, GLU73B, GLU73C, GLU74B, GLU74C, GLY280B, GLY72B, GLY72C, HIS145B, HIS145C, HIS81B, HIS81C, ILE281B, ILE281C, ILE76B, ILE76C, LEU147B, LEU147C, LEU148B, LEU148C, LEU286B, LEU286C, MET82B, MET82C, PHE152B, PHE152C, PRO149B, PRO149C, PRO150B, PRO150C, SER155B, SER155C, SER156B, SER156C, SER285B, SER285C, SER75B, SER75C, SER79B, SER79C, SER80B, SER80C, TYR154B, TYR154C
• B-D: ALA111B, ALA166D, ALA178B, ALA185D, ALA198D, ALA208B, ARG116B, ARG121B, ARG167B, ARG171B, ARG174B, ARG192D, ASN109B, ASN146D, ASN153D, ASN173B, ASN193D, ASN197D, ASN215B, ASP117B, ASP144D, ASP161D, ASP195D, ASP211B, GLN200D, GLU151D, GLU157B, GLU165B, GLU165D, GLU204D, GLU205D, GLU212B, GLY137D, GLY140D, GLY141D, GLY177B, GLY187D, GLY217B, HIS142D, HIS145D, HIS214B, HIS216B, HIS81B, ILE138D, ILE228D, LEU147D, LEU148D, LEU203D, LYS168B, LYS172B, LYS175B, LYS199D, LYS288D, MET169B, MET206D, PHE152D, PHE201D, PRO149D, PRO150D, PRO163B, PRO163D, SER114B, SER155D, SER156D, SER162B, SER162D, SER191D, THR139D, THR186D, THR194D, THR202D, TRP164B, TRP164D, TYR110B, TYR154D, TYR176B, VAL113B, VAL159D, VAL160D, VAL170B
• B-H: ALA111H, ALA166B, ALA178H, ALA198B, ALA208H, ARG116H, ARG121H, ARG167H, ARG171H, ARG174H, ARG192B, ASN109H, ASN146B, ASN153B, ASN173H, ASN193B, ASN197B, ASN215H, ASP117H, ASP144B, ASP161B, ASP195B, ASP211H, GLN200B, GLU151B, GLU157H, GLU165B, GLU165H, GLU204B, GLU205B, GLU212H, GLY137B, GLY140B, GLY141B, GLY177H, GLY187B, GLY188B, GLY217H, HIS142B, HIS145B, HIS214H, HIS216H, HIS81H, ILE138B, ILE228B, LEU147B, LEU148B, LEU203B, LYS168H, LYS172H, LYS175H, LYS199B, LYS288B, MET169H, MET206B, PHE152B, PHE201B, PRO149B, PRO150B, PRO163B, PRO163H, SER114H, SER155B, SER156B, SER162B, SER162H, SER191B, THR139B, THR186B, THR194B, THR202B, TRP164B, TRP164H, TYR110H, TYR154B, TYR176H, VAL113H, VAL159B, VAL160B, VAL170H
• C-F: ALA111C, ALA166F, ALA178C, ALA185F, ALA198F, ALA208C, ARG116C, ARG121C, ARG167C, ARG171C, ARG174C, ARG192F, ASN109C, ASN146F, ASN153F, ASN173C, ASN193F, ASN197F, ASN215C, ASP117C, ASP144F, ASP161F, ASP195F, ASP211C, GLN200F, GLU151F, GLU157C, GLU165C, GLU165F, GLU204F, GLU205F, GLU212C, GLY137F, GLY140F, GLY141F, GLY177C, GLY187F, GLY188F, GLY217C, HIS142F, HIS145F, HIS214C, HIS216C, HIS81C, ILE138F, ILE228F, LEU147F, LEU148F, LEU203F, LYS168C, LYS172C, LYS175C, LYS199F, LYS288F, MET169C, MET206F, PHE152F, PHE201F, PRO149F, PRO150F, PRO163C, PRO163F, SER114C, SER155F, SER156F, SER162C, SER162F, SER191F, THR139F, THR186F, THR194F, THR202F, TRP164C, TRP164F, TYR110C, TYR154F, TYR176C, VAL113C, VAL159F, VAL160F, VAL170C
• C-H: ALA108C, ALA108H, ALA111C, ALA111H, ALA118C, ALA118H, ALA77C, ALA77H, ARG116C, ARG116H, ARG121C, ARG121H, ASN109C, ASN109H, ASN125C, ASN125H, ASN68C, ASN68H, ASN90C, ASN90H, ASP112C, ASP112H, ASP117C, ASP117H, ASP69C, ASP69H, ASP78C, ASP78H, GLU120C, GLU120H, GLU73C, GLU73H, GLU74C, GLU74H, GLU92C, GLU92H, GLY122C, GLY122H, GLY72H, GLY83C, GLY83H, GLY87C, GLY87H, HIS81C, HIS81H, ILE119C, ILE119H, ILE124C, ILE124H, ILE76C, ILE76H, LYS175C, LYS175H, LYS71C, LYS71H, LYS93C, LYS93H, MET82C, MET82H, SER114C, SER114H, SER70C, SER70H, SER75C, SER75H, SER79C, SER79H, SER80C, SER80H, THR84C, THR84H, TRP86C, TRP86H, TYR110C, TYR110H, TYR176C, TYR176H, VAL113C, VAL113H, VAL115C, VAL115H, VAL123C, VAL123H, VAL66C, VAL66H, VAL85C, VAL85H, VAL88C, VAL88H, VAL89C, VAL89H
• D-E: ALA111D, ALA166E, ALA178D, ALA185E, ALA198E, ALA208D, ARG116D, ARG121D, ARG167D, ARG171D, ARG174D, ARG192E, ASN109D, ASN146E, ASN153E, ASN173D, ASN193E, ASN197E, ASN215D, ASP117D, ASP144E, ASP161E, ASP195E, ASP211D, GLN200E, GLU151E, GLU157D, GLU165D, GLU165E, GLU204E, GLU205E, GLU212D, GLY137E, GLY140E, GLY141E, GLY177D, GLY187E, GLY188E, GLY217D, HIS142E, HIS145E, HIS214D, HIS216D, HIS81D, ILE138E, ILE228E, LEU147E, LEU148E, LEU203E, LYS168D, LYS172D, LYS175D, LYS199E, LYS288E, MET169D, MET206E, PHE152E, PHE201E, PRO149E, PRO150E, PRO163D, PRO163E, SER114D, SER155E, SER156E, SER162D, SER162E, SER191E, SER80D, THR139E, THR186E, THR194E, THR202E, TRP164D, TRP164E, TYR110D, TYR154E, TYR176D, VAL113D, VAL159E, VAL160E, VAL170D
• D-G: ALA108D, ALA108G, ALA111D, ALA111G, ALA118D, ALA118G, ALA77D, ALA77G, ALA91D, ARG116D, ARG116G, ARG121D, ARG121G, ASN109D, ASN109G, ASN125D, ASN125G, ASN68D, ASN68G, ASN90D, ASN90G, ASP112D, ASP112G, ASP117D, ASP117G, ASP69D, ASP69G, ASP78D, ASP78G, GLU120D, GLU120G, GLU157D, GLU157G, GLU73D, GLU73G, GLU74D, GLU74G, GLU92G, GLY122D, GLY122G, GLY72D, GLY72G, GLY83D, GLY83G, GLY87D, GLY87G, HIS81D, HIS81G, ILE119D, ILE119G, ILE124D, ILE124G, ILE76D, ILE76G, LYS175D, LYS175G, LYS71D, LYS71G, LYS93D, LYS93G, MET82D, MET82G, SER114D, SER114G, SER70D, SER70G, SER75D, SER75G, SER79D, SER79G, SER80D, SER80G, THR84D, THR84G, TRP86D, TRP86G, TYR110D, TYR110G, TYR176D, TYR176G, VAL113D, VAL113G, VAL115D, VAL115G, VAL123D, VAL123G, VAL66D, VAL66G, VAL85D, VAL85G, VAL88D, VAL88G, VAL89D, VAL89G
• E-F: ALA108E, ALA108F, ALA111E, ALA111F, ALA118E, ALA118F, ALA77E, ALA77F, ALA91E, ARG116E, ARG116F, ARG121E, ARG121F, ASN109E, ASN109F, ASN125E, ASN125F, ASN68E, ASN68F, ASN90E, ASN90F, ASP112E, ASP112F, ASP117E, ASP117F, ASP69E, ASP69F, ASP78E, ASP78F, GLU120E, GLU120F, GLU73E, GLU73F, GLU74E, GLU74F, GLY122E, GLY122F, GLY72E, GLY72F, GLY83E, GLY83F, GLY87E, GLY87F, HIS81E, HIS81F, ILE119E, ILE119F, ILE124E, ILE124F, ILE76E, ILE76F, LYS175E, LYS175F, LYS71E, LYS71F, LYS93E, LYS93F, MET82E, MET82F, SER114E, SER114F, SER70E, SER70F, SER75E, SER75F, SER79E, SER79F, SER80E, SER80F, THR84E, THR84F, TRP86E, TRP86F, TYR110E, TYR110F, TYR176E, TYR176F, VAL113E, VAL113F, VAL115E, VAL115F, VAL123E, VAL123F, VAL66E, VAL66F, VAL85E, VAL85F, VAL88E, VAL88F, VAL89E, VAL89F
• E-G: ALA77E, ALA77G, ARG192E, ARG192G, ARG282E, ARG282G, ASN109E, ASN109G, ASN146E, ASN146G, ASN153E, ASN193E, ASN193G, ASN287E, ASN68E, ASN68G, ASP78E, ASP78G, GLU151E, GLU151G, GLU283E, GLU283G, GLU284E, GLU284G, GLU73E, GLU73G, GLU74E, GLU74G, GLY280E, GLY280G, GLY72E, GLY72G, HIS145E, HIS145G, HIS81E, HIS81G, ILE281E, ILE281G, ILE76E, ILE76G, LEU147E, LEU147G, LEU148E, LEU148G, LEU286E, LEU286G, LYS278E, LYS278G, MET82E, MET82G, PHE152E, PHE152G, PRO149E, PRO149G, PRO150E, PRO150G, SER155E, SER155G, SER156E, SER156G, SER285E, SER285G, SER75E, SER75G, SER79E, SER79G, SER80E, SER80G, TYR154E, TYR154G
• E-H: ALA111E, ALA166H, ALA178E, ALA185H, ALA198H, ALA208E, ARG116E, ARG121E, ARG167E, ARG171E, ARG174E, ARG192H, ASN109E, ASN146H, ASN153H, ASN173E, ASN193H, ASN197H, ASN215E, ASP117E, ASP144H, ASP161H, ASP195H, ASP211E, GLN200H, GLU151H, GLU157E, GLU165E, GLU165H, GLU204H, GLU205H, GLU212E, GLY137H, GLY140H, GLY141H, GLY177E, GLY187H, GLY188H, GLY217E, HIS142H, HIS145H, HIS214E, HIS216E, HIS81E, ILE138H, ILE228H, LEU147H, LEU148H, LEU203H, LYS168E, LYS172E, LYS175E, LYS199H, LYS288H, MET169E, MET206H, PHE152H, PHE201H, PRO149H, PRO150H, PRO163E, PRO163H, SER114E, SER155H, SER156H, SER162E, SER162H, SER191H, THR139H, THR186H, THR194H, THR202H, TRP164E, TRP164H, TYR110E, TYR154H, TYR176E, VAL113E, VAL159H, VAL160H, VAL170E, VAL196H
• F-G: ALA111F, ALA166G, ALA178F, ALA185G, ALA198G, ALA208F, ARG116F, ARG121F, ARG167F, ARG171F, ARG174F, ARG192G, ASN109F, ASN146G, ASN153G, ASN173F, ASN193G, ASN197G, ASN215F, ASP117F, ASP144G, ASP161G, ASP195G, ASP211F, GLN200G, GLU151G, GLU157F, GLU165F, GLU165G, GLU204G, GLU205G, GLU212F, GLY137G, GLY140G, GLY141G, GLY177F, GLY187G, GLY188G, GLY217F, GLY229G, HIS142G, HIS145G, HIS214F, HIS216F, HIS81F, ILE138G, ILE228G, LEU147G, LEU148G, LEU203G, LYS168F, LYS172F, LYS175F, LYS199G, LYS288G, MET169F, MET206G, PHE152G, PHE201G, PRO149G, PRO150G, PRO163F, PRO163G, SER114F, SER155G, SER156G, SER162F, SER162G, SER191G, THR139G, THR186G, THR194G, THR202G, TRP164F, TRP164G, TYR110F, TYR154G, TYR176F, VAL113F, VAL159G, VAL160G, VAL170F
• F-H: ALA108H, ALA77F, ALA77H, ARG192F, ARG192H, ARG282F, ARG282H, ASN109F, ASN109H, ASN146F, ASN146H, ASN193F, ASN193H, ASN68F, ASN68H, ASP78F, ASP78H, GLU151F, GLU151H, GLU283F, GLU283H, GLU284F, GLU284H, GLU73F, GLU73H, GLU74F, GLU74H, GLY280F, GLY280H, GLY72H, HIS145F, HIS145H, HIS81F, HIS81H, ILE281F, ILE281H, ILE76F, ILE76H, LEU147F, LEU147H, LEU148F, LEU148H, LEU286F, LEU286H, MET82F, MET82H, PHE152F, PHE152H, PRO149F, PRO149H, PRO150F, PRO150H, SER155F, SER155H, SER156F, SER156H, SER285F, SER285H, SER75F, SER75H, SER79F, SER79H, SER80F, SER80H, TYR154F, TYR154H