2B05

crystal structure of 14-3-3 gamma in complex with a phosphoserine peptide

• Total interactions analyzed: 66
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 106
  • Norm. En. per Res.: -3.0755
• 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-G	-32.6135	0.0	-78.7897	-111.4032	44	3	5	3503	0	3	3
A-B	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	5	8
A-C	-11.3007	-11.9934	-127.48	-150.7741	79	6	1	5485	4	47	42
A-D	-29.999	-62.9983	-233.008	-326.0053	106	13	11	10155	8	48	54
B-H	-30.6651	0.0	-73.2667	-103.9318	44	2	6	3501	0	3	3
B-C	-25.6442	-21.0592	-212.475	-259.1784	102	15	12	9578	8	47	56
B-D	-19.9545	44.2655	-81.608	-57.297	62	9	2	4248	4	20	25
C-I	-20.4134	0.0	-66.6202	-87.0336	43	3	6	3258	0	3	2
C-D	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	5	8
D-J	-32.3833	0.0	-71.3146	-103.6979	43	2	6	3377	0	3	2
E-K	-16.35	0.0	-61.0513	-77.4013	42	1	6	3081	0	0	0
E-F	-8.9698	3.7491	-111.34	-116.5607	77	4	10	5699	3	44	50
F-L	-22.9201	0.0	-69.1078	-92.0279	44	3	5	3289	0	3	3

Interface residues

• A-G: ALA193A, ALA503G, ARG132A, ARG502G, ARG57A, ARG61A, ASN178A, ASN229A, ASN43A, ASN51A, ASP129A, ASP218A, ASP228A, GLN224A, GLU185A, GLY174A, ILE171A, ILE222A, ILE504G, LEU173A, LEU175A, LEU177A, LEU221A, LEU225A, LEU226A, LEU230A, LEU232A, LEU506G, LYS125A, LYS50A, MET126A, PHE122A, PHE182A, PRO170A, PRO507G, SER180A, SER219A, SER46A, TRP233A, TYR133A, TYR179A, TYR184A, VAL181A, VAL47A
• A-B: ALA84A, LYS88B
• A-C: ALA138A, ALA138C, ALA144A, ALA144C, ALA25A, ALA25C, ALA95A, ALA95C, ARG143A, ARG143C, ASN106A, ASN106C, ASN111A, ASN111C, ASN29A, ASN29C, ASN34A, ASN34C, ASP105A, ASP105C, ASP99A, ASP99C, CYS97A, GLN98A, GLN98C, GLU141A, GLU141C, GLU148A, GLU148C, GLU32A, GLU32C, GLU35A, GLU35C, GLU94A, GLU94C, GLY140A, GLY140C, LEU101A, LEU101C, LEU103A, LEU103C, LEU104A, LEU134A, LEU134C, LEU33A, LEU33C, LYS110A, LYS110C, LYS127A, LYS127C, LYS142A, LYS142C, LYS28A, LYS28C, LYS91A, LYS91C, SER102A, SER102C, SER149A, SER149C, THR139A, THR139C, THR145A, THR145C, THR31A, THR31C, TYR107A, TYR107C, TYR131A, TYR131C, TYR49A, TYR49C, VAL100A, VAL100C, VAL146A, VAL146C, VAL147A, VAL96A, VAL96C
• A-D: ALA11A, ALA11D, ALA14A, ALA14D, ALA17A, ALA17D, ALA25A, ALA25D, ALA26A, ALA26D, ALA55A, ALA55D, ALA84A, ALA84D, ARG12A, ARG12D, ARG19A, ARG19D, ARG56A, ARG56D, ARG61A, ARG61D, ARG83A, ARG83D, ARG86A, ARG86D, ASN75A, ASN75D, ASP21A, ASP21D, ASP22A, ASP22D, ASP3A, ASP3D, GLN16A, GLN16D, GLN6A, GLN6D, GLN9A, GLN9D, GLU15A, GLU15D, GLU18A, GLU18D, GLU5A, GLU5D, GLU67A, GLU67D, GLU76A, GLU76D, GLU80A, GLU80D, GLU90A, GLU90D, GLU92A, GLU92D, ILE63A, ILE63D, ILE66A, ILE66D, ILE79A, ILE79D, ILE89A, ILE89D, LEU13A, LEU13D, LEU7A, LEU7D, LEU93A, LEU93D, LYS10A, LYS10D, LYS77A, LYS77D, LYS78A, LYS78D, LYS88A, LYS88D, MET23A, MET23D, MET81A, MET81D, SER58A, SER58D, SER59A, SER59D, SER64A, SER64D, SER65D, THR70A, THR70D, TRP60A, TRP60D, TYR20A, TYR20D, TYR85A, TYR85D, VAL2A, VAL52A, VAL52D, VAL62A, VAL62D, VAL82A, VAL82D, VAL8A, VAL8D
• B-H: ALA176B, ALA193B, ALA503H, ARG132B, ARG502H, ARG57B, ARG61B, ASN178B, ASN229B, ASN51B, ASP129B, ASP218B, ASP228B, GLN224B, GLU185B, GLY174B, ILE171B, ILE222B, ILE504H, LEU173B, LEU175B, LEU177B, LEU221B, LEU225B, LEU226B, LEU230B, LEU232B, LEU506H, LYS125B, LYS50B, PHE122B, PHE182B, PRO170B, PRO507H, SER180B, SER219B, SER46B, TRP233B, TYR133B, TYR154B, TYR179B, TYR184B, VAL181B, VAL47B
• B-C: ALA11B, ALA11C, ALA14B, ALA14C, ALA17B, ALA17C, ALA25B, ALA25C, ALA26B, ALA55B, ALA55C, ALA84B, ALA84C, ARG12B, ARG12C, ARG19B, ARG19C, ARG56B, ARG56C, ARG61B, ARG61C, ARG83B, ARG83C, ARG86B, ARG86C, ASN75B, ASP21B, ASP21C, ASP22B, ASP22C, ASP3B, ASP3C, GLN16B, GLN16C, GLN6B, GLN6C, GLN9B, GLN9C, GLU15B, GLU15C, GLU18B, GLU18C, GLU5B, GLU5C, GLU67B, GLU67C, GLU80B, GLU80C, GLU90B, GLU90C, GLU92B, GLU92C, ILE63B, ILE63C, ILE66B, ILE66C, ILE79B, ILE79C, ILE89B, ILE89C, LEU13B, LEU13C, LEU7B, LEU7C, LEU93B, LEU93C, LYS10B, LYS10C, LYS77B, LYS77C, LYS78B, LYS78C, LYS88B, LYS88C, MET23B, MET23C, MET81B, MET81C, SER58B, SER58C, SER59B, SER59C, SER64B, SER64C, SER65B, SER65C, THR70B, THR70C, TRP60B, TRP60C, TYR20B, TYR20C, TYR85B, TYR85C, VAL2C, VAL52B, VAL62B, VAL62C, VAL82B, VAL82C, VAL8B, VAL8C
• B-D: ALA95B, ALA95D, ARG4D, ASN106B, ASN106D, ASN111B, ASN111D, ASN29B, ASN29D, ASN34B, ASN34D, ASP105B, ASP105D, ASP3B, ASP3D, ASP99B, ASP99D, CYS97B, CYS97D, GLN98B, GLN98D, GLU32B, GLU32D, GLU35B, GLU35D, GLU90B, GLU90D, GLU92B, GLU92D, GLU94B, GLU94D, LEU101B, LEU101D, LEU103B, LEU103D, LEU104B, LEU104D, LEU134B, LEU134D, LEU33B, LEU33D, LEU7B, LEU7D, LEU93B, LEU93D, LYS110B, LYS110D, LYS142B, LYS28B, LYS28D, LYS91B, LYS91D, SER102B, SER102D, THR31B, THR31D, TYR107B, TYR107D, VAL2B, VAL2D, VAL96B, VAL96D
• C-I: ALA193C, ALA503I, ARG132C, ARG502I, ARG57C, ARG61C, ASN178C, ASN229C, ASN43C, ASN51C, ASP129C, ASP218C, ASP228C, GLN224C, GLU185C, GLY174C, ILE171C, ILE222C, ILE504I, LEU173C, LEU175C, LEU177C, LEU221C, LEU225C, LEU226C, LEU230C, LEU232C, LEU506I, LYS125C, LYS50C, PHE122C, PHE182C, PRO170C, PRO507I, SER180C, SER46C, TRP233C, TYR133C, TYR154C, TYR179C, TYR184C, VAL181C, VAL47C
• C-D: ALA84C, LYS88D
• D-J: ALA176D, ALA193D, ALA503J, ARG132D, ARG502J, ARG57D, ARG61D, ASN178D, ASN229D, ASN51D, ASP129D, ASP218D, ASP228D, GLN224D, GLU185D, GLY174D, ILE171D, ILE222D, ILE504J, LEU173D, LEU175D, LEU177D, LEU221D, LEU225D, LEU226D, LEU230D, LEU232D, LEU506J, LYS125D, LYS50D, PHE122D, PHE182D, PRO170D, PRO507J, SER180D, SER219D, SER46D, TRP233D, TYR133D, TYR179D, TYR184D, VAL181D, VAL47D
• E-K: ALA193E, ALA503K, ARG132E, ARG57E, ASN178E, ASN229E, ASN43E, ASN51E, ASP129E, ASP218E, ASP228E, GLN224E, GLU185E, GLY174E, ILE171E, ILE222E, ILE504K, LEU173E, LEU175E, LEU177E, LEU221E, LEU225E, LEU226E, LEU230E, LEU232E, LEU506K, LYS125E, LYS50E, PHE122E, PHE182E, PRO170E, PRO507K, SER180E, SER219E, SER46E, TRP233E, TYR133E, TYR154E, TYR179E, TYR184E, VAL181E, VAL47E
• E-F: ALA11E, ALA11F, ALA14E, ALA14F, ALA17E, ALA17F, ALA55E, ALA55F, ARG12E, ARG12F, ARG19E, ARG19F, ARG56E, ARG56F, ARG83E, ARG86E, ASP22E, ASP22F, ASP3F, GLN16E, GLN16F, GLN6E, GLN6F, GLN9E, GLN9F, GLU15E, GLU15F, GLU18E, GLU18F, GLU5E, GLU5F, GLU67E, GLU80E, GLU90E, GLU92E, GLU92F, ILE63E, ILE63F, ILE66E, ILE66F, ILE89E, ILE89F, LEU13E, LEU13F, LEU7E, LEU7F, LEU93E, LYS10E, LYS10F, LYS77E, LYS77F, LYS78E, LYS78F, LYS88E, LYS88F, MET23E, MET23F, MET81E, MET81F, SER58E, SER58F, SER59E, SER59F, SER65F, THR70E, TRP60E, TRP60F, TYR20E, TYR20F, TYR85E, TYR85F, VAL62E, VAL62F, VAL82E, VAL82F, VAL8E, VAL8F
• F-L: ALA193F, ALA503L, ARG132F, ARG502L, ARG57F, ARG61F, ASN178F, ASN229F, ASN51F, ASP129F, ASP218F, ASP228F, GLN224F, GLU185F, GLY174F, ILE171F, ILE222F, ILE504L, LEU173F, LEU175F, LEU177F, LEU221F, LEU225F, LEU226F, LEU230F, LEU232F, LEU506L, LYS125F, LYS50F, MET126F, PHE122F, PHE182F, PRO170F, PRO507L, SER180F, SER219F, SER46F, TRP233F, TYR133F, TYR154F, TYR179F, TYR184F, VAL181F, VAL47F