2QV6

gtp cyclohydrolase iii from m. jannaschii (mj0145) complexed with gtp and metal ions

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 268
  • Norm. En. per Res.: -3.541
• Hub Node: A(3)

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	-26.6361	-14.3429	-98.5354	-139.5143	54	3	2	4164	4	20	25
A-C	-126.9373	-69.2133	-752.848	-948.9985	268	38	14	31626	4	54	62
A-D	-37.5576	-11.1701	-201.335	-250.0627	77	4	0	7875	6	28	27
B-C	-16.8348	-34.7961	-196.285	-247.9159	76	10	0	7793	8	28	28
B-D	-104.236	-77.6041	-734.983	-916.8231	269	40	15	31300	5	54	61
C-D	-31.1953	3.461	-90.7495	-118.4838	55	2	2	4134	2	21	26

Interface residues

• A-B: ALA29A, ALA36A, ALA36B, ALA44A, ALA44B, ARG33A, ARG33B, ARG71A, ARG71B, ARG79A, ARG79B, ASN227A, ASN227B, ASN39A, ASN39B, ASN78A, ASP37A, ASP37B, GLU223A, GLU223B, GLU74A, GLU74B, GLY43A, GLY43B, GLY47A, GLY47B, HIS45A, HIS45B, ILE64A, ILE64B, ILE67A, ILE67B, ILE72A, ILE72B, ILE76A, ILE76B, LEU38A, LEU38B, LEU40A, LEU40B, LYS46A, LYS46B, MET41A, MET41B, PHE42A, PHE42B, SER75A, SER75B, THR221A, THR221B, THR68A, THR68B, TYR80A, TYR80B
• A-C: ALA101A, ALA101C, ALA111A, ALA111C, ALA152A, ALA152C, ALA165A, ALA165C, ALA175A, ALA175C, ALA187A, ALA187C, ALA222A, ALA222C, ALA229A, ALA229C, ALA29A, ALA29C, ALA36A, ALA36C, ALA44A, ALA44C, ALA97A, ALA97C, ARG116A, ARG116C, ARG22A, ARG22C, ARG237A, ARG237C, ARG23A, ARG23C, ARG33A, ARG33C, ARG53A, ARG53C, ARG79A, ARG79C, ASN11A, ASN11C, ASN141A, ASN141C, ASN158A, ASN158C, ASN160A, ASN160C, ASN174A, ASN174C, ASN184A, ASN184C, ASN20A, ASN20C, ASN227A, ASN227C, ASN39A, ASN39C, ASN56A, ASN56C, ASP113A, ASP113C, ASP148A, ASP148C, ASP154A, ASP154C, ASP183A, ASP183C, ASP224A, ASP224C, ASP230A, ASP230C, ASP26A, ASP26C, ASP37A, ASP37C, ASP55A, ASP55C, GLN106A, GLN106C, GLN112A, GLN112C, GLN28A, GLN28C, GLN31A, GLN31C, GLN8A, GLN8C, GLN98A, GLN98C, GLU103A, GLU103C, GLU107A, GLU107C, GLU168A, GLU168C, GLU169A, GLU223A, GLU223C, GLU234A, GLU234C, GLU24A, GLU24C, GLU96A, GLU96C, GLY109A, GLY109C, GLY13A, GLY13C, GLY144A, GLY144C, GLY181A, GLY181C, GLY182A, GLY182C, GLY232A, GLY232C, GLY43A, GLY43C, GLY47A, GLY47C, HIS136A, HIS136C, HIS45A, HIS45C, ILE134A, ILE134C, ILE139A, ILE139C, ILE142A, ILE142C, ILE149A, ILE149C, ILE180A, ILE180C, ILE231A, ILE231C, ILE4A, ILE4C, ILE58A, ILE58C, ILE7A, ILE7C, ILE9A, LEU100A, LEU100C, LEU105A, LEU105C, LEU146A, LEU146C, LEU157A, LEU157C, LEU164A, LEU164C, LEU166A, LEU166C, LEU170A, LEU170C, LEU171A, LEU171C, LEU176A, LEU176C, LEU177A, LEU177C, LEU228C, LEU233A, LEU233C, LEU27A, LEU27C, LEU30A, LEU30C, LEU34A, LEU34C, LEU38A, LEU38C, LEU40A, LEU40C, LEU48A, LEU48C, LEU57A, LEU57C, LYS161A, LYS161C, LYS163A, LYS163C, LYS235A, LYS235C, LYS46A, LYS46C, LYS99A, LYS99C, MET167A, MET167C, MET186A, MET186C, MET41A, MET41C, PHE178A, PHE178C, PHE179A, PHE179C, PHE185A, PHE185C, PHE42A, PHE42C, PHE50A, PHE50C, PHE54A, PHE54C, PRO14A, PRO14C, PRO188A, PRO188C, PRO19A, PRO19C, PRO21A, PRO21C, PRO94A, PRO94C, SER110A, SER110C, SER151A, SER151C, SER226A, SER226C, SER25A, SER25C, SER32A, SER32C, THR102A, THR102C, THR143A, THR143C, THR147A, THR147C, THR155A, THR155C, THR16A, THR16C, THR18A, THR18C, THR52A, THR52C, TYR12A, TYR12C, TYR153A, TYR153C, TYR156A, TYR156C, TYR208A, TYR208C, TYR35A, TYR35C, TYR51A, TYR51C, TYR80C, TYR95A, TYR95C, VAL150A, VAL150C, VAL159A, VAL159C, VAL162A, VAL162C, VAL17A, VAL17C, VAL49A, VAL49C, VAL6A, VAL6C
• A-D: ALA29A, ALA29D, ALA36A, ALA36D, ARG22A, ARG22D, ARG23A, ARG23D, ARG33A, ARG33D, ARG71A, ARG71D, ARG77A, ARG77D, ARG79A, ARG79D, ASN20A, ASN20D, ASN78A, ASN78D, ASP26A, ASP26D, ASP37A, ASP37D, GLN28A, GLN28D, GLN31A, GLN31D, GLN73A, GLN73D, GLU24A, GLU24D, GLU74A, GLU74D, HIS45A, HIS45D, ILE67A, ILE67D, ILE72A, ILE72D, ILE76A, ILE76D, LEU27A, LEU27D, LEU30A, LEU30D, LEU34A, LEU34D, LEU40A, LEU40D, LYS70A, LYS70D, MET41A, MET41D, PHE82A, PHE82D, PRO19A, PRO19D, PRO21A, PRO21D, PRO81A, PRO81D, SER25A, SER25D, SER32A, SER75A, SER75D, THR16A, THR16D, THR68A, THR68D, TRP15A, TRP15D, TYR12A, TYR12D, TYR80A, TYR80D
• B-C: ALA29B, ALA29C, ALA36B, ALA36C, ARG22B, ARG22C, ARG23B, ARG23C, ARG33B, ARG33C, ARG71B, ARG71C, ARG77B, ARG77C, ARG79B, ARG79C, ASN20B, ASN20C, ASN78B, ASN78C, ASP26B, ASP26C, ASP37B, ASP37C, GLN28B, GLN28C, GLN31B, GLN31C, GLN73B, GLN73C, GLU24B, GLU24C, GLU74B, GLU74C, HIS45B, ILE67C, ILE72B, ILE72C, ILE76B, ILE76C, LEU27B, LEU27C, LEU30B, LEU30C, LEU34B, LEU34C, LEU38B, LEU40B, LEU40C, LYS70B, LYS70C, MET41B, MET41C, PHE82B, PHE82C, PRO19B, PRO19C, PRO21B, PRO21C, PRO81B, PRO81C, SER25B, SER25C, SER75B, SER75C, THR16B, THR16C, THR18C, THR68C, TRP15B, TRP15C, TYR12B, TYR12C, TYR80B, TYR80C, VAL17C
• B-D: ALA101B, ALA101D, ALA111B, ALA111D, ALA152B, ALA152D, ALA165B, ALA165D, ALA175B, ALA175D, ALA187B, ALA187D, ALA222B, ALA222D, ALA229B, ALA229D, ALA29B, ALA29D, ALA36B, ALA36D, ALA44B, ALA44D, ALA97B, ALA97D, ARG116B, ARG116D, ARG22B, ARG22D, ARG237B, ARG237D, ARG23B, ARG23D, ARG33B, ARG33D, ARG53B, ARG53D, ARG79B, ARG79D, ASN11B, ASN11D, ASN141B, ASN141D, ASN158B, ASN158D, ASN160B, ASN160D, ASN174B, ASN174D, ASN184B, ASN184D, ASN20B, ASN20D, ASN227B, ASN227D, ASN39B, ASN39D, ASN56B, ASN56D, ASP113B, ASP113D, ASP148B, ASP148D, ASP154B, ASP154D, ASP183B, ASP183D, ASP224B, ASP224D, ASP230B, ASP230D, ASP26B, ASP26D, ASP37B, ASP37D, ASP55B, ASP55D, GLN106B, GLN106D, GLN112B, GLN112D, GLN28B, GLN28D, GLN31B, GLN31D, GLN8B, GLN8D, GLN98B, GLN98D, GLU103B, GLU103D, GLU107B, GLU107D, GLU168B, GLU168D, GLU169D, GLU223B, GLU223D, GLU234B, GLU234D, GLU24B, GLU24D, GLU96B, GLU96D, GLY109B, GLY109D, GLY13B, GLY13D, GLY144B, GLY144D, GLY181B, GLY181D, GLY182B, GLY182D, GLY232B, GLY232D, GLY43B, GLY43D, GLY47B, GLY47D, HIS136B, HIS136D, HIS45B, HIS45D, ILE134B, ILE134D, ILE139B, ILE139D, ILE142B, ILE142D, ILE149B, ILE149D, ILE180B, ILE180D, ILE231B, ILE231D, ILE4B, ILE4D, ILE58B, ILE58D, ILE7B, ILE7D, ILE9D, LEU100B, LEU100D, LEU105B, LEU105D, LEU146B, LEU146D, LEU157B, LEU157D, LEU164B, LEU164D, LEU166B, LEU166D, LEU170B, LEU170D, LEU171B, LEU171D, LEU176B, LEU176D, LEU177B, LEU177D, LEU233B, LEU233D, LEU27B, LEU27D, LEU30B, LEU30D, LEU34B, LEU34D, LEU38B, LEU38D, LEU40B, LEU40D, LEU48B, LEU48D, LEU57B, LEU57D, LYS161B, LYS161D, LYS163B, LYS163D, LYS172B, LYS235B, LYS235D, LYS46B, LYS46D, LYS99B, LYS99D, MET167B, MET167D, MET186B, MET186D, MET41B, MET41D, PHE178B, PHE178D, PHE179B, PHE179D, PHE185B, PHE185D, PHE42B, PHE42D, PHE50B, PHE50D, PHE54B, PHE54D, PRO14B, PRO14D, PRO188B, PRO188D, PRO19B, PRO19D, PRO21B, PRO21D, PRO94B, PRO94D, SER110B, SER110D, SER151B, SER151D, SER226B, SER226D, SER25B, SER25D, SER32B, SER32D, THR102B, THR102D, THR143B, THR143D, THR147B, THR147D, THR155B, THR155D, THR16B, THR16D, THR18B, THR18D, THR52B, THR52D, TYR12B, TYR12D, TYR153B, TYR153D, TYR156B, TYR156D, TYR208B, TYR208D, TYR35B, TYR35D, TYR51B, TYR51D, TYR80B, TYR80D, TYR95B, TYR95D, VAL150B, VAL150D, VAL159B, VAL159D, VAL162B, VAL162D, VAL17B, VAL17D, VAL49B, VAL49D, VAL6B, VAL6D
• C-D: ALA29D, ALA36C, ALA36D, ALA44C, ALA44D, ARG33C, ARG33D, ARG71C, ARG71D, ARG79C, ARG79D, ASN227C, ASN227D, ASN39C, ASN39D, ASN78C, ASN78D, ASP224C, ASP37C, ASP37D, GLU223C, GLU223D, GLU74C, GLU74D, GLY43C, GLY43D, GLY47C, GLY47D, HIS45C, HIS45D, ILE64C, ILE67C, ILE67D, ILE72C, ILE72D, ILE76C, ILE76D, LEU38C, LEU38D, LEU40C, LEU40D, LYS46C, LYS46D, MET41C, MET41D, PHE42C, PHE42D, SER75C, SER75D, THR221C, THR221D, THR68C, THR68D, TYR80C, TYR80D