2ANU

crystal structure of predicted metal-dependent phosphoesterase (php family) (tm0559) from thermotoga maritima at 2.40 a resolution

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 98
  • Norm. En. per Res.: -4.258
• Hub Node: A(2)

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	-105.5265	-6.8137	-311.69	-424.0301	102	18	10	12261	2	21	43
A-C	0.0	0.0	-59.3294	-59.3294	34	3	0	2443	0	22	28
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	6
B-D	-12.5329	-3.5483	-82.7268	-98.808	42	2	0	3316	2	41	32
C-D	-11.2983	1.032	-277.37	-287.6363	97	3	0	10910	1	78	83
D-E	-33.4229	-34.198	-96.117	-163.7379	39	7	3	4092	4	22	18
E-F	-107.712	-6.1199	-303.448	-417.2799	98	13	10	12080	3	21	36

Interface residues

• A-B: ALA168A, ALA168B, ALA172A, ALA172B, ALA190A, ALA190B, ALA219A, ALA219B, ALA227A, ALA227B, ARG143A, ARG143B, ARG174A, ARG174B, ARG187A, ARG187B, ARG221A, ARG221B, ARG232A, ARG232B, ASN173A, ASN173B, ASN179A, ASN179B, ASN223A, ASN223B, ASP175A, ASP175B, ASP176A, ASP176B, ASP225A, ASP225B, GLU6A, GLU6B, GLY182A, GLY182B, HIS199A, HIS199B, ILE171A, ILE171B, ILE220A, ILE220B, ILE228A, ILE228B, LEU177A, LEU177B, LEU206A, LEU206B, LEU230A, LEU230B, LEU8A, LEU8B, LEU9A, LEU9B, LYS184A, LYS184B, LYS185A, LYS185B, LYS204A, LYS204B, LYS208A, LYS208B, LYS222A, LYS222B, LYS233A, LYS233B, PHE178A, PHE178B, SER180A, SER180B, SER202A, SER202B, THR205A, THR205B, THR224A, THR224B, THR5A, TRP169B, TRP198A, TRP198B, TRP203A, TRP203B, TRP7A, TRP7B, TYR186A, TYR186B, TYR188A, TYR188B, TYR201A, TYR201B, TYR229A, TYR229B, VAL181A, VAL181B, VAL183A, VAL183B, VAL200A, VAL200B, VAL207A, VAL207B, VAL226A, VAL226B
• A-C: ARG161A, ARG76C, ARG83C, ASN158A, ASN17C, ASP164A, ASP30C, GLU123A, GLU124A, GLU160A, GLU27C, GLU80C, GLU87C, GLY26C, HIS22C, LEU197C, LEU23C, LEU25C, LEU31C, LYS163A, LYS34C, PHE162A, PRO121A, PRO24C, THR165A, THR16C, TRP169A, TRP198C, TYR154A, TYR186A, TYR88C, VAL122A, VAL28C, VAL29C
• B-C: ARG79C, LYS233B
• B-D: ARG161D, ARG187D, ARG83B, ASN158D, ASN17B, ASP164D, ASP20B, ASP30B, GLU123D, GLU124D, GLU127D, GLU131D, GLU160D, GLU196B, GLU27B, GLY21B, GLY26B, HIS195B, HIS199B, HIS22B, HIS35B, LEU197B, LEU23B, LEU25B, LEU31B, LYS130D, LYS163D, LYS233B, LYS34B, PHE162D, PHE166D, PHE194B, PRO121D, PRO24B, THR165D, TRP198B, TYR154D, TYR186D, TYR201B, VAL122D, VAL126D, VAL28B
• C-D: ALA134C, ALA134D, ALA215C, ALA215D, ALA219C, ALA219D, ALA84C, ALA84D, ARG221C, ARG221D, ARG76C, ARG76D, ARG79C, ARG79D, ARG83C, ARG83D, ASN133C, ASN133D, ASN212C, ASN212D, ASP111C, ASP111D, ASP167D, ASP72C, ASP72D, GLN132C, GLN132D, GLN71C, GLN71D, GLN81C, GLN81D, GLU114C, GLU114D, GLU127C, GLU127D, GLU131C, GLU131D, GLU210C, GLU210D, GLU214C, GLU214D, GLU218C, GLU218D, GLU80C, GLU80D, GLU86C, GLU86D, GLU87C, GLU87D, GLY89C, GLY89D, ILE213C, ILE213D, ILE216C, ILE216D, ILE91C, ILE91D, LEU129C, LEU129D, LEU74C, LEU74D, LEU77C, LEU77D, LEU92C, LEU92D, LYS113C, LYS113D, LYS128C, LYS128D, LYS130C, LYS130D, LYS211C, LYS211D, LYS217C, LYS217D, LYS222C, LYS222D, LYS75C, LYS75D, LYS82C, LYS82D, PHE70C, PRO94C, PRO94D, SER209C, SER209D, THR5C, THR5D, TRP78C, TRP78D, TRP85C, TRP85D, TYR115C, TYR115D, VAL112C, VAL112D, VAL116C
• D-E: ARG83D, ASN17D, ASN17E, ASP30D, ASP30E, GLU196D, GLU196E, GLU27D, GLU27E, GLY21D, GLY21E, HIS195D, HIS195E, HIS199D, HIS199E, HIS22D, HIS22E, HIS35D, HIS35E, LEU197D, LEU197E, LEU23D, LEU23E, LEU31D, LEU31E, LYS34D, LYS34E, PHE194D, PHE194E, PRO24D, PRO24E, TRP198D, TRP198E, TYR201D, TYR201E, VAL200D, VAL200E, VAL28D, VAL28E
• E-F: ALA168E, ALA168F, ALA172E, ALA172F, ALA190E, ALA190F, ALA227E, ALA227F, ARG143E, ARG143F, ARG174E, ARG174F, ARG187E, ARG187F, ARG221E, ARG232E, ARG232F, ASN173E, ASN173F, ASN179E, ASN179F, ASN223E, ASN223F, ASP175E, ASP175F, ASP176E, ASP176F, ASP225E, ASP225F, GLU6E, GLU6F, GLY182E, GLY182F, HIS199E, HIS199F, ILE171E, ILE171F, ILE220E, ILE220F, ILE228E, ILE228F, LEU177E, LEU177F, LEU206E, LEU206F, LEU230E, LEU230F, LEU8E, LEU8F, LEU9E, LEU9F, LYS184E, LYS184F, LYS185E, LYS185F, LYS204E, LYS204F, LYS208E, LYS208F, LYS222E, LYS222F, LYS233F, PHE178E, PHE178F, SER180E, SER180F, SER202E, SER202F, THR205E, THR205F, THR224E, THR224F, TRP169E, TRP169F, TRP198E, TRP198F, TRP203E, TRP203F, TRP7E, TRP7F, TYR186E, TYR186F, TYR188E, TYR188F, TYR201E, TYR201F, TYR229E, TYR229F, VAL181E, VAL181F, VAL183E, VAL183F, VAL200E, VAL200F, VAL207E, VAL207F, VAL226E, VAL226F