3OTR

2.75 angstrom crystal structure of enolase 1 from toxoplasma gondii

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 195
  • Norm. En. per Res.: -3.9912
• Hub Node: B(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	-194.2698	-86.9868	-497.02	-778.2766	195	39	9	20661	9	108	118
A-C	-13.6502	-134.0016	-141.707	-289.3588	98	6	0	6584	12	67	63
B-C	0.0	-4.9657	-22.6357	-27.6014	23	5	0	947	0	16	9
B-D	0.0	-3.7857	-9.7609	-13.5467	16	0	0	527	0	10	8
B-E	0.0	1.4168	-4.3434	-2.9267	16	0	0	428	0	19	15
B-F	-21.7295	-41.3603	-202.507	-265.5968	121	9	1	10248	6	77	77
C-D	-206.5937	-64.0155	-501.374	-771.9832	196	37	8	21111	8	104	118
D-E	-2.6793	-21.1887	-6.2022	-30.0702	21	2	0	458	2	10	8
E-F	-206.8424	-54.4006	-516.123	-777.366	197	35	9	21112	9	107	120

Interface residues

• A-B: ALA166A, ALA166B, ALA188A, ALA188B, ALA211A, ALA211B, ALA221A, ALA221B, ALA240A, ALA240B, ALA241A, ALA241B, ALA35A, ALA35B, ALA9A, ALA9B, ARG10A, ARG10B, ARG16A, ARG16B, ARG186A, ARG186B, ARG190A, ARG190B, ARG33A, ARG33B, ARG412A, ARG412B, ARG415A, ARG415B, ARG424A, ARG424B, ARG57A, ARG57B, ASN161A, ASN161B, ASN168A, ASN168B, ASN18A, ASN18B, ASN201A, ASN201B, ASN213A, ASN213B, ASN223A, ASN223B, ASN420A, ASN420B, ASP14A, ASP14B, ASP210A, ASP210B, ASP216A, ASP216B, ASP24A, ASP24B, ASP390A, ASP390B, ASP54A, ASP54B, CYS411A, CYS411B, CYS417A, CYS417B, GLN421A, GLN421B, GLU11A, GLU11B, GLU164A, GLU164B, GLU187A, GLU187B, GLU194A, GLU194B, GLU22A, GLU22B, GLU387A, GLU387B, GLU389A, GLU389B, GLU414A, GLU414B, GLU427A, GLU427B, GLY162A, GLY162B, GLY163A, GLY163B, GLY167A, GLY167B, GLY17A, GLY17B, GLY192A, GLY192B, GLY208A, GLY208B, GLY215A, GLY215B, GLY218A, GLY218B, GLY219A, GLY219B, GLY242A, GLY386B, GLY60A, GLY60B, GLY62A, GLY62B, HIS165A, HIS165B, HIS197A, HIS197B, HIS198A, HIS198B, ILE12A, ILE12B, ILE185A, ILE185B, ILE189A, ILE189B, ILE425A, ILE425B, LEU13A, LEU13B, LEU199B, LEU209A, LEU209B, LEU416A, LEU416B, LEU59A, LEU59B, LEU64A, LEU64B, LYS200A, LYS200B, LYS204B, LYS271A, LYS271B, LYS418A, LYS418B, LYS56A, LYS56B, LYS61A, LYS61B, MET423A, MET423B, PHE157A, PHE157B, PHE220A, PHE220B, PRO19A, PRO19B, PRO222A, PRO222B, PRO410A, PRO410B, PRO55A, PRO55B, SER15A, SER15B, SER193A, SER193B, SER391A, SER391B, SER409A, SER409B, SER413A, SER413B, SER428A, SER428B, THR195A, THR195B, THR20A, THR20B, THR212A, THR212B, THR388A, THR388B, TYR191A, TYR191B, TYR196A, TYR196B, TYR243A, TYR243B, TYR419A, TYR419B, TYR58A, TYR58B, VAL214A, VAL214B, VAL224B, VAL67A, VAL67B, VAL8A, VAL8B
• A-C: ALA128C, ALA129C, ALA140C, ALA143C, ALA254A, ALA255A, ALA40A, ALA436C, ARG16A, ARG401C, ARG441C, ARG445C, ARG51A, ASN102A, ASN350C, ASN65A, ASP148C, ASP262A, ASP267A, ASP269A, ASP307A, ASP309A, ASP310A, ASP432C, ASP52A, ASP54A, GLN261A, GLN308A, GLN326C, GLN373C, GLU103A, GLU164A, GLU257A, GLU263A, GLU323C, GLU438C, GLY132C, GLY144C, GLY167A, GLY322C, GLY376C, GLY378C, GLY437C, GLY43A, GLY60A, GLY62A, HIS165A, HIS442C, HIS447C, HIS448C, ILE147C, ILE44A, LEU133C, LEU142C, LEU370C, LEU48A, LEU59A, LYS131C, LYS137C, LYS145C, LYS149C, LYS260A, LYS264A, LYS265A, LYS271A, LYS273A, LYS275A, LYS324C, LYS374C, LYS444C, LYS53A, LYS56A, LYS61A, PHE258A, PHE440C, PRO134C, PRO443C, PRO55A, SER130C, SER256A, SER375C, SER41A, SER439C, SER446C, THR141C, THR146C, THR325C, THR42A, TRP104A, TRP377C, TYR138C, TYR259A, TYR266A, TYR270A, TYR45A, TYR58A, VAL321C, VAL434C
• B-C: ALA431C, ARG186C, ASN184C, ASN201B, ASN205B, ASP432C, CYS433C, GLU426C, GLU427C, GLY430C, HIS197B, HIS198B, HIS448C, ILE203B, LEU209B, LEU429C, LYS149C, LYS200B, LYS204B, LYS206B, SER428C, THR212B, VAL202B
• B-D: ALA240B, ARG71D, ASN232B, ASP6D, GLU236B, GLU244B, GLY245B, ILE4D, ILE7D, LEU79D, LYS239B, LYS246B, LYS5D, LYS75D, SER26D, VAL8D
• B-E: ALA240E, ASN201E, ASN205E, ASP320B, GLU288B, GLU291B, GLY292B, HIS197E, HIS198E, LYS204E, LYS239E, LYS287B, LYS295B, LYS296B, LYS324B, VAL202E
• B-F: ALA312B, ALA343B, ALA372B, ALA40F, ARG339F, ARG401B, ARG441B, ARG445B, ARG51F, ARG57F, ARG71F, ASN102F, ASN350B, ASN65F, ASP262F, ASP307F, ASP309B, ASP309F, ASP310B, ASP320B, ASP346B, ASP52F, ASP54F, ASP98F, CYS349B, CYS351B, GLN261F, GLN308F, GLN326B, GLN373B, GLN72F, GLN96F, GLU103F, GLU164F, GLU257F, GLU323B, GLU341B, GLU438B, GLU46F, GLU49F, GLU68F, GLU73F, GLY112F, GLY144B, GLY181B, GLY245B, GLY322B, GLY376B, GLY378B, GLY39F, GLY43F, GLY60F, GLY62F, GLY99F, HIS165F, HIS442B, HIS447B, ILE116F, ILE299B, ILE300B, ILE337B, ILE340B, ILE44F, ILE69F, ILE74F, LEU111F, LEU338B, LEU344B, LEU370B, LEU371B, LEU48F, LEU50F, LEU59F, LEU64F, LEU97F, LYS101F, LYS108F, LYS110F, LYS145B, LYS246B, LYS248B, LYS260F, LYS319B, LYS324B, LYS342B, LYS345B, LYS347B, LYS374B, LYS444B, LYS53F, LYS56F, LYS61F, PHE311B, PHE311F, PHE440B, PRO19F, PRO298B, PRO443B, PRO55F, PRO76F, SER107F, SER109F, SER315B, SER375B, SER41F, SER439B, SER446B, THR100F, THR146B, THR318B, THR325B, THR42F, TRP104B, TRP104F, TRP377B, TYR45F, TYR58F, VAL180B, VAL321B, VAL334F, VAL70F
• C-D: ALA166C, ALA166D, ALA188C, ALA188D, ALA211C, ALA211D, ALA221C, ALA221D, ALA240C, ALA240D, ALA241C, ALA241D, ALA34C, ALA35C, ALA35D, ALA9C, ALA9D, ARG10C, ARG10D, ARG16C, ARG16D, ARG186C, ARG186D, ARG190C, ARG190D, ARG33C, ARG33D, ARG412C, ARG412D, ARG415C, ARG415D, ARG424C, ARG424D, ARG57C, ARG57D, ASN161C, ASN161D, ASN168C, ASN168D, ASN18C, ASN18D, ASN201C, ASN201D, ASN213C, ASN213D, ASN223C, ASN223D, ASN420C, ASN420D, ASP14C, ASP14D, ASP210C, ASP210D, ASP216C, ASP216D, ASP24C, ASP24D, ASP390C, ASP390D, ASP54C, ASP54D, CYS411C, CYS411D, CYS417C, CYS417D, GLN421C, GLN421D, GLU11C, GLU11D, GLU164C, GLU164D, GLU187C, GLU187D, GLU194C, GLU194D, GLU217C, GLU22C, GLU22D, GLU387C, GLU387D, GLU389C, GLU389D, GLU414C, GLU414D, GLU427C, GLU427D, GLY162D, GLY163C, GLY163D, GLY167C, GLY167D, GLY17C, GLY17D, GLY192C, GLY192D, GLY208C, GLY208D, GLY215C, GLY215D, GLY218C, GLY218D, GLY219C, GLY219D, GLY386C, GLY386D, GLY60C, GLY60D, GLY62C, GLY62D, HIS165C, HIS165D, HIS197C, HIS197D, HIS198C, HIS198D, ILE12C, ILE12D, ILE185C, ILE189C, ILE189D, ILE425C, ILE425D, LEU13C, LEU13D, LEU199C, LEU199D, LEU209C, LEU209D, LEU416C, LEU416D, LEU59C, LEU59D, LEU64C, LEU64D, LYS200C, LYS200D, LYS271C, LYS271D, LYS418C, LYS418D, LYS56C, LYS56D, LYS61C, LYS61D, MET423C, MET423D, PHE157C, PHE157D, PHE220C, PHE220D, PRO19C, PRO19D, PRO222C, PRO222D, PRO410C, PRO410D, PRO55C, PRO55D, SER15C, SER15D, SER193C, SER193D, SER391C, SER391D, SER409C, SER409D, SER413C, SER413D, SER428C, SER428D, THR195C, THR195D, THR20C, THR20D, THR212C, THR212D, THR388C, THR388D, TYR191C, TYR191D, TYR196C, TYR196D, TYR243C, TYR243D, TYR419C, TYR419D, TYR58C, TYR58D, VAL214C, VAL214D, VAL224C, VAL224D, VAL67C, VAL67D, VAL8C, VAL8D
• D-E: ALA77D, ASP82D, GLN96D, GLU244E, GLU95D, GLY245E, GLY80D, LEU78D, LEU79D, LEU92D, LYS239E, LYS246E, LYS248E, LYS295E, LYS296E, LYS81D, MET1D, PRO298E, PRO76D, TYR297E, VAL3D
• E-F: ALA166E, ALA166F, ALA188E, ALA188F, ALA211E, ALA211F, ALA221E, ALA221F, ALA240E, ALA240F, ALA241E, ALA241F, ALA35E, ALA35F, ALA9E, ALA9F, ARG10E, ARG10F, ARG16E, ARG16F, ARG186E, ARG186F, ARG190E, ARG190F, ARG33E, ARG33F, ARG412E, ARG412F, ARG415E, ARG415F, ARG424E, ARG424F, ARG57E, ARG57F, ASN161E, ASN161F, ASN168E, ASN168F, ASN18E, ASN18F, ASN201E, ASN201F, ASN213E, ASN213F, ASN223E, ASN223F, ASN420E, ASN420F, ASP14E, ASP14F, ASP210E, ASP210F, ASP216E, ASP216F, ASP24E, ASP24F, ASP390E, ASP390F, ASP54E, ASP54F, CYS411E, CYS411F, CYS417E, CYS417F, GLN421E, GLN421F, GLU11E, GLU11F, GLU164E, GLU164F, GLU187E, GLU187F, GLU194E, GLU194F, GLU217E, GLU22E, GLU22F, GLU387E, GLU387F, GLU389E, GLU389F, GLU414E, GLU414F, GLU427E, GLU427F, GLY162E, GLY162F, GLY163E, GLY163F, GLY167E, GLY167F, GLY17E, GLY17F, GLY192E, GLY192F, GLY208E, GLY208F, GLY215E, GLY215F, GLY218E, GLY218F, GLY219E, GLY219F, GLY386E, GLY386F, GLY60E, GLY60F, GLY62E, GLY62F, HIS165E, HIS165F, HIS197E, HIS197F, HIS198E, HIS198F, ILE12E, ILE12F, ILE185E, ILE189E, ILE189F, ILE425E, ILE425F, LEU13E, LEU13F, LEU199E, LEU199F, LEU209E, LEU209F, LEU416E, LEU416F, LEU59E, LEU59F, LEU64E, LEU64F, LYS200E, LYS200F, LYS271E, LYS271F, LYS418E, LYS418F, LYS56E, LYS56F, LYS61E, LYS61F, MET423E, MET423F, PHE157E, PHE157F, PHE220E, PHE220F, PRO19E, PRO19F, PRO222E, PRO222F, PRO410E, PRO410F, PRO55E, PRO55F, SER15E, SER15F, SER193E, SER193F, SER391E, SER391F, SER409E, SER409F, SER413E, SER413F, SER428E, SER428F, THR195E, THR195F, THR20E, THR20F, THR212E, THR212F, THR388E, THR388F, TYR191E, TYR191F, TYR196E, TYR196F, TYR243E, TYR243F, TYR419E, TYR419F, TYR58E, TYR58F, VAL214E, VAL214F, VAL224E, VAL224F, VAL31E, VAL67E, VAL67F, VAL8E, VAL8F