1XTU

sulfolobus solfataricus uracil phosphoribosyltransferase in complex with uridine 5'-monophosphate (ump) and cytidine 5'-triphosphate (ctp)

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 174
  • Norm. En. per Res.: -3.8128
• Hub Node: B(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-D	0.0	0.0	-0.0795	-0.0795	5	0	0	36	0	0	2
A-E	-78.2165	-7.7141	-574.946	-660.8765	175	57	15	23130	5	50	40
A-F	0.0	0.0	-3.4718	-3.4718	6	0	0	213	0	3	4
A-H	-53.3502	1.5026	-333.815	-385.6626	106	13	7	12541	2	36	34
B-C	0.0	0.0	-0.0803	-0.0803	6	0	0	38	0	0	2
B-D	0.0	17.1101	-30.2223	-13.1122	18	2	0	1306	0	10	9
B-F	-88.2595	-8.2077	-541.994	-638.4613	171	46	15	22069	2	47	39
B-G	-65.657	-2.2965	-320.146	-388.0996	109	13	7	12278	2	36	33
B-H	0.0	0.0	-0.3396	-0.3396	7	0	0	82	0	4	4
C-E	-7.2999	11.1583	-20.1176	-16.2592	29	3	0	1231	0	20	19
C-F	-47.0602	2.2868	-324.214	-368.9874	106	12	7	12331	2	36	34
C-G	-70.3123	-14.8537	-567.402	-652.568	177	53	15	22980	6	50	38
D-E	-50.308	2.5529	-310.621	-358.3762	107	10	7	12161	2	36	34
D-F	0.0	0.0	-0.0075	-0.0075	3	0	0	5	0	1	1
D-H	-110.3471	-7.7598	-545.319	-663.4259	174	51	15	22276	5	48	40
E-F	0.0	0.0	-4.967	-4.967	16	0	0	408	0	7	14
E-G	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	2	0
E-H	0.0	0.0	-0.0651	-0.0651	6	0	0	32	0	0	2
F-G	0.0	0.0	-0.0577	-0.0577	6	0	0	26	0	0	2

Interface residues

• A-D: ARG37D, LYS30A, LYS30D, LYS91A, LYS91D
• A-E: ALA192A, ALA192E, ALA210A, ALA210E, ALA92A, ALA92E, ARG19A, ARG19E, ARG213A, ARG213E, ARG34A, ARG34E, ARG37A, ARG37E, ASN198A, ASN198E, ASN27A, ASN27E, ASN45A, ASN45E, ASN71A, ASN71E, ASP194A, ASP194E, ASP209A, ASP209E, ASP20A, ASP20E, ASP212A, ASP212E, ASP48A, ASP48E, ASP66A, ASP66E, ASP69A, ASP69E, ASP7A, ASP7E, GLN17A, GLN17E, GLU196A, GLU196E, GLU42A, GLU42E, GLU50A, GLU50E, GLU53A, GLU53E, GLU55A, GLU55E, GLY201A, GLY201E, GLY206A, GLY206E, GLY208A, GLY208E, GLY40A, GLY40E, GLY59A, GLY59E, GLY64A, GLY64E, HIS13A, HIS13E, ILE10A, ILE10E, ILE14A, ILE14E, ILE170A, ILE170E, ILE203A, ILE203E, ILE38A, ILE38E, ILE43A, ILE43E, ILE51A, ILE51E, ILE67A, ILE67E, ILE6A, ILE6E, ILE73A, ILE73E, LEU12A, LEU12E, LEU15A, LEU15E, LEU18A, LEU18E, LEU197A, LEU197E, LEU204A, LEU204E, LEU207A, LEU207E, LEU35A, LEU35E, LEU39A, LEU39E, LEU47A, LEU47E, LEU58A, LEU58E, LEU70A, LEU70E, LEU90A, LEU90E, LYS200A, LYS200E, LYS21A, LYS21E, LYS30A, LYS30E, LYS61A, LYS61E, LYS63A, LYS63E, LYS8A, LYS8E, LYS91A, LYS91E, LYS95A, LYS95E, MET142A, MET142E, PHE28A, PHE28E, PHE93A, PHE93E, PRO195A, PRO195E, PRO205A, PRO205E, PRO57A, PRO57E, PRO94A, PRO94E, PRO9A, PRO9E, SER44A, SER44E, THR11A, THR11E, THR16A, THR16E, THR23A, THR23E, THR46A, THR46E, THR56A, THR56E, THR62A, THR62E, THR68A, THR68E, TYR202A, TYR202E, TYR22A, TYR22E, TYR41A, TYR41E, TYR49A, TYR49E, VAL191A, VAL33A, VAL33E, VAL52A, VAL52E, VAL54A, VAL54E, VAL60A, VAL60E, VAL65A, VAL65E
• A-F: ASP109F, GLU107F, LYS200F, LYS21A, TYR22A, VAL108F
• A-H: ALA210A, ALA210H, ALA214A, ALA214H, ALA81A, ALA81H, ALA82A, ALA82H, ALA96A, ALA96H, ARG213A, ARG213H, ARG29A, ARG29H, ARG37A, ARG37H, ARG80A, ARG80H, ARG97A, ARG97H, ASN27A, ASN27H, ASN71A, ASN71H, ASN77A, ASN77H, ASP128A, ASP128H, ASP209A, ASP209H, ASP212A, ASP212H, ASP24A, ASP24H, GLN25A, GLN25H, GLN98A, GLN98H, GLU107A, GLU107H, GLU87A, GLU87H, GLY102A, GLY102H, GLY211A, GLY211H, GLY216A, GLY216H, GLY99A, GLY99H, ILE101A, ILE101H, ILE126A, ILE126H, ILE26A, ILE26H, ILE73A, ILE73H, ILE75A, ILE75H, ILE76A, ILE76H, ILE78A, ILE78H, LEU79A, LEU79H, LEU90A, LEU90H, LYS124A, LYS124H, LYS125A, LYS125H, LYS30A, LYS30H, LYS91A, LYS91H, LYS95A, LYS95H, PHE215A, PHE215H, PHE93A, PHE93H, PRO127A, PRO127H, PRO84A, PRO84H, PRO94A, PRO94H, SER104A, SER104H, TYR122A, TYR122H, TYR123A, TYR123H, TYR202A, TYR202H, VAL100A, VAL100H, VAL33A, VAL33H, VAL74A, VAL74H, VAL83A, VAL83H, VAL86A, VAL86H
• B-C: ARG37B, ARG37C, LYS30B, LYS30C, LYS91B, LYS91C
• B-D: ASN27D, ASP20D, ASP24D, GLN17D, GLU50B, GLU53B, GLU55B, GLY64B, ILE26D, ILE51B, LYS21D, LYS61B, LYS63B, THR23D, THR62B, TYR22D, VAL52B, VAL54B
• B-F: ALA210B, ALA210F, ALA92B, ALA92F, ARG19B, ARG19F, ARG213B, ARG213F, ARG34B, ARG34F, ARG37B, ARG37F, ASN198B, ASN198F, ASN45B, ASN45F, ASN71B, ASN71F, ASP194B, ASP194F, ASP209B, ASP209F, ASP20B, ASP20F, ASP212B, ASP212F, ASP48B, ASP48F, ASP66B, ASP66F, ASP69B, ASP69F, ASP7B, ASP7F, GLN17B, GLN17F, GLU196B, GLU196F, GLU42B, GLU42F, GLU50B, GLU50F, GLU53B, GLU53F, GLU55B, GLU55F, GLY201B, GLY201F, GLY206B, GLY206F, GLY208B, GLY208F, GLY40B, GLY40F, GLY59B, GLY59F, GLY64B, GLY64F, GLY88B, HIS13B, HIS13F, ILE10B, ILE10F, ILE14B, ILE14F, ILE170B, ILE170F, ILE203B, ILE203F, ILE38B, ILE38F, ILE43B, ILE43F, ILE51B, ILE51F, ILE67B, ILE67F, ILE6B, ILE6F, ILE73B, ILE73F, LEU12B, LEU12F, LEU15B, LEU15F, LEU18B, LEU18F, LEU197B, LEU197F, LEU204B, LEU204F, LEU207B, LEU207F, LEU35B, LEU35F, LEU39B, LEU39F, LEU47B, LEU47F, LEU58B, LEU58F, LEU70B, LEU70F, LEU90B, LEU90F, LYS200B, LYS200F, LYS21B, LYS21F, LYS30B, LYS30F, LYS61B, LYS61F, LYS63B, LYS63F, LYS8B, LYS8F, LYS91B, LYS91F, LYS95B, LYS95F, MET142B, MET142F, PHE28B, PHE28F, PHE93B, PHE93F, PRO195B, PRO195F, PRO205B, PRO205F, PRO57B, PRO57F, PRO94B, PRO94F, PRO9B, PRO9F, SER44B, SER44F, THR11B, THR11F, THR16B, THR16F, THR23B, THR23F, THR46B, THR46F, THR56B, THR56F, THR62B, THR62F, THR68B, THR68F, TYR202B, TYR202F, TYR22B, TYR22F, TYR41B, TYR41F, TYR49B, TYR49F, VAL33B, VAL33F, VAL52B, VAL52F, VAL54B, VAL54F, VAL60B, VAL60F, VAL65B, VAL65F
• B-G: ALA210B, ALA210G, ALA214B, ALA214G, ALA81B, ALA81G, ALA82B, ALA82G, ALA96B, ALA96G, ARG213B, ARG213G, ARG29B, ARG29G, ARG37B, ARG37G, ARG80B, ARG80G, ARG97B, ARG97G, ASN27B, ASN27G, ASN71B, ASN71G, ASN77B, ASN77G, ASP128B, ASP128G, ASP209B, ASP209G, ASP212B, ASP212G, ASP24B, ASP24G, GLN25B, GLN25G, GLN98B, GLN98G, GLU107B, GLU107G, GLU87B, GLU87G, GLY102B, GLY102G, GLY211B, GLY211G, GLY216B, GLY216G, GLY99B, GLY99G, ILE101B, ILE101G, ILE121B, ILE126B, ILE126G, ILE26B, ILE26G, ILE73B, ILE73G, ILE75B, ILE75G, ILE76B, ILE76G, ILE78B, ILE78G, LEU79B, LEU79G, LEU90B, LEU90G, LYS124B, LYS124G, LYS125B, LYS125G, LYS30B, LYS30G, LYS91B, LYS91G, LYS95B, LYS95G, PHE215B, PHE215G, PHE93B, PHE93G, PRO127B, PRO127G, PRO84B, PRO84G, PRO94B, PRO94G, SER104B, SER104G, TYR120B, TYR120G, TYR122B, TYR122G, TYR123B, TYR123G, TYR202B, TYR202G, VAL100B, VAL100G, VAL33B, VAL33G, VAL74B, VAL74G, VAL83B, VAL83G, VAL86B, VAL86G
• B-H: GLU55H, ILE51B, LYS61B, LYS61H, LYS63B, LYS95H, VAL54H
• C-E: ALA131C, ALA159C, ARG130C, ARG97C, ASN160C, ASN71C, ASP128C, ASP48E, ASP66E, GLU155C, GLU50E, GLU53E, ILE126C, ILE129C, ILE51E, LYS124C, LYS132E, LYS158C, LYS162E, LYS61E, LYS63E, LYS95C, PRO127C, THR68C, THR68E, TYR49E, VAL133C, VAL157C, VAL52E
• C-F: ALA210C, ALA210F, ALA214C, ALA214F, ALA81C, ALA81F, ALA82C, ALA82F, ALA96C, ALA96F, ARG213C, ARG213F, ARG29C, ARG29F, ARG37C, ARG37F, ARG80C, ARG80F, ARG97C, ARG97F, ASN27C, ASN27F, ASN71C, ASN71F, ASN77C, ASN77F, ASP128C, ASP128F, ASP209C, ASP209F, ASP212C, ASP212F, ASP24C, ASP24F, GLN25C, GLN25F, GLN98C, GLN98F, GLU107C, GLU107F, GLU87C, GLU87F, GLY102C, GLY102F, GLY211C, GLY211F, GLY216C, GLY216F, GLY99C, GLY99F, ILE101C, ILE101F, ILE126C, ILE126F, ILE26C, ILE26F, ILE73C, ILE73F, ILE75C, ILE75F, ILE76C, ILE76F, ILE78C, ILE78F, LEU79C, LEU79F, LEU90C, LEU90F, LYS124C, LYS124F, LYS125C, LYS125F, LYS30C, LYS30F, LYS91C, LYS91F, LYS95C, LYS95F, PHE215C, PHE215F, PHE93C, PHE93F, PRO127C, PRO127F, PRO84C, PRO84F, PRO94C, PRO94F, SER104C, SER104F, TYR122C, TYR122F, TYR123C, TYR123F, TYR202C, TYR202F, VAL100C, VAL100F, VAL33C, VAL33F, VAL74C, VAL74F, VAL83C, VAL83F, VAL86C, VAL86F
• C-G: ALA192C, ALA192G, ALA210C, ALA210G, ALA92C, ALA92G, ARG19C, ARG19G, ARG213C, ARG213G, ARG34C, ARG34G, ARG37C, ARG37G, ASN198C, ASN198G, ASN27C, ASN27G, ASN45C, ASN45G, ASN71C, ASN71G, ASP194C, ASP194G, ASP209C, ASP209G, ASP20C, ASP20G, ASP212C, ASP212G, ASP48C, ASP48G, ASP66C, ASP66G, ASP69C, ASP69G, ASP7C, ASP7G, GLN17C, GLN17G, GLU196C, GLU196G, GLU42C, GLU42G, GLU50C, GLU50G, GLU53C, GLU53G, GLU55C, GLU55G, GLY201C, GLY201G, GLY206C, GLY206G, GLY208C, GLY208G, GLY40C, GLY40G, GLY59C, GLY59G, GLY64C, GLY64G, GLY88C, GLY88G, HIS13C, HIS13G, ILE10C, ILE10G, ILE14C, ILE14G, ILE170C, ILE170G, ILE203C, ILE203G, ILE38C, ILE38G, ILE43C, ILE43G, ILE51C, ILE51G, ILE67C, ILE67G, ILE6C, ILE6G, ILE73C, ILE73G, LEU12C, LEU12G, LEU15C, LEU15G, LEU18C, LEU18G, LEU197C, LEU197G, LEU204C, LEU204G, LEU207C, LEU207G, LEU35C, LEU35G, LEU39C, LEU39G, LEU47C, LEU47G, LEU58C, LEU58G, LEU70C, LEU70G, LEU90C, LEU90G, LYS200C, LYS200G, LYS21C, LYS21G, LYS30C, LYS30G, LYS61C, LYS61G, LYS63C, LYS63G, LYS8C, LYS8G, LYS91C, LYS91G, LYS95C, LYS95G, MET142C, MET142G, PHE28C, PHE28G, PHE93C, PHE93G, PRO195C, PRO195G, PRO205C, PRO205G, PRO57C, PRO57G, PRO94C, PRO94G, PRO9C, PRO9G, SER44C, SER44G, THR11C, THR11G, THR16C, THR16G, THR23C, THR23G, THR46C, THR46G, THR56C, THR56G, THR62C, THR62G, THR68C, THR68G, TYR202C, TYR202G, TYR22C, TYR22G, TYR41C, TYR41G, TYR49C, TYR49G, VAL191C, VAL33C, VAL33G, VAL52C, VAL52G, VAL54C, VAL54G, VAL60C, VAL60G, VAL65C, VAL65G
• D-E: ALA210D, ALA210E, ALA214D, ALA214E, ALA81D, ALA81E, ALA82D, ALA82E, ALA96D, ALA96E, ARG213D, ARG213E, ARG29D, ARG29E, ARG37D, ARG37E, ARG80D, ARG80E, ARG97D, ARG97E, ASN27D, ASN27E, ASN71D, ASN71E, ASN77D, ASN77E, ASP128D, ASP128E, ASP209D, ASP209E, ASP212D, ASP212E, ASP24D, ASP24E, GLN25D, GLN25E, GLN98D, GLN98E, GLU107D, GLU107E, GLU87D, GLU87E, GLY102D, GLY102E, GLY211D, GLY211E, GLY216D, GLY216E, GLY99D, GLY99E, ILE101D, ILE101E, ILE126D, ILE126E, ILE26D, ILE26E, ILE73D, ILE73E, ILE75D, ILE75E, ILE76D, ILE76E, ILE78D, ILE78E, LEU79D, LEU79E, LEU90D, LEU90E, LYS124D, LYS124E, LYS125D, LYS125E, LYS30D, LYS30E, LYS91D, LYS91E, LYS95D, LYS95E, PHE215D, PHE215E, PHE93D, PHE93E, PRO127D, PRO127E, PRO84D, PRO84E, PRO94D, PRO94E, SER104D, SER104E, TYR120E, TYR122D, TYR122E, TYR123D, TYR123E, TYR202D, TYR202E, VAL100D, VAL100E, VAL33D, VAL33E, VAL74D, VAL74E, VAL83D, VAL83E, VAL86D, VAL86E
• D-F: ASP24D, ILE26D, TYR22F
• D-H: ALA210D, ALA210H, ALA92D, ALA92H, ARG19D, ARG19H, ARG213D, ARG213H, ARG34D, ARG34H, ARG37D, ARG37H, ASN198D, ASN198H, ASN27D, ASN27H, ASN45D, ASN45H, ASN71D, ASN71H, ASP194D, ASP194H, ASP209D, ASP209H, ASP20D, ASP20H, ASP212D, ASP212H, ASP48D, ASP48H, ASP66D, ASP66H, ASP69D, ASP69H, ASP7D, ASP7H, GLN17D, GLN17H, GLU196D, GLU196H, GLU42D, GLU42H, GLU50D, GLU50H, GLU53D, GLU53H, GLU55D, GLU55H, GLY201D, GLY201H, GLY206D, GLY206H, GLY208D, GLY208H, GLY40D, GLY40H, GLY59D, GLY59H, GLY64D, GLY64H, GLY88D, GLY88H, HIS13D, HIS13H, ILE10D, ILE10H, ILE14D, ILE14H, ILE170D, ILE170H, ILE203D, ILE203H, ILE38D, ILE38H, ILE43D, ILE43H, ILE51D, ILE51H, ILE67D, ILE67H, ILE6D, ILE6H, ILE73D, ILE73H, LEU12D, LEU12H, LEU15D, LEU15H, LEU18D, LEU18H, LEU197D, LEU197H, LEU204D, LEU204H, LEU207D, LEU207H, LEU35D, LEU35H, LEU39D, LEU39H, LEU47D, LEU47H, LEU58D, LEU58H, LEU70D, LEU70H, LEU90D, LEU90H, LYS200D, LYS200H, LYS21D, LYS21H, LYS30D, LYS30H, LYS61D, LYS61H, LYS63D, LYS63H, LYS8D, LYS8H, LYS91D, LYS91H, LYS95D, LYS95H, MET142D, MET142H, PHE28D, PHE28H, PHE93D, PHE93H, PRO195D, PRO195H, PRO205D, PRO205H, PRO57D, PRO57H, PRO94D, PRO94H, PRO9D, PRO9H, SER44D, SER44H, THR11D, THR11H, THR16D, THR16H, THR23D, THR23H, THR46D, THR46H, THR56D, THR56H, THR62D, THR62H, THR68D, THR68H, TYR202D, TYR202H, TYR22D, TYR22H, TYR41D, TYR41H, TYR49D, TYR49H, VAL33D, VAL33H, VAL52D, VAL52H, VAL54D, VAL54H, VAL60D, VAL60H, VAL65D, VAL65H
• E-F: ARG130E, ASN27F, ASN71E, ASN72E, ASP20F, ASP24F, GLU50E, GLY216F, LEU70E, LYS21F, LYS95E, THR23F, THR68E, TYR22F, VAL133E, VAL52E
• E-G: GLN17G, LYS132E
• E-H: ARG37E, ARG37H, LYS30E, LYS30H, LYS91E, LYS91H
• F-G: ARG37F, ARG37G, LYS30F, LYS30G, LYS91F, LYS91G