2OID

crystal structure of irak4 kinase domain complexed with amppnp

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 71
  • Norm. En. per Res.: -3.2182
• 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	0.0	-0.3293	-50.5078	-50.8371	67	0	0	2467	0	9	17
A-C	-20.8967	-25.7028	-85.7031	-132.3026	77	3	0	3523	3	28	16
A-D	-34.7452	-13.5165	-180.229	-228.4907	71	6	0	6258	0	42	39
B-C	-29.5945	-5.5492	-177.082	-212.2257	72	7	0	5942	1	42	38
B-D	-18.5818	-23.7595	-98.3557	-140.697	71	3	0	3692	3	27	17

Interface residues

• A-B: ALA322A, ALA322B, ARG183A, ARG183B, ARG273A, ASN178A, ASN178B, ASN190B, ASN206A, ASN206B, ASN207A, ASN207B, ASN267A, ASN267B, ASN419A, ASN419B, ASP278A, ASP278B, ASP320A, ASP320B, ASP420A, ASP420B, GLU321A, GLU321B, GLY188A, GLY189A, GLY189B, GLY203A, GLY279A, GLY279B, HIS286A, HIS286B, ILE185A, ILE185B, LEU277A, LYS202A, LYS202B, LYS290A, LYS290B, PHE323A, PHE323B, PRO184A, PRO184B, PRO266A, PRO266B, PRO281A, PRO281B, PRO282A, PRO282B, SER186A, SER186B, SER284A, SER284B, THR208A, THR208B, THR209A, THR209B, THR280A, THR280B, THR324A, THR324B, TYR204A, TYR204B, VAL176B, VAL187A, VAL205A, VAL205B
• A-C: ALA322A, ALA322C, ALA421C, ARG164A, ASN206A, ASN206C, ASN207A, ASN207C, ASN244A, ASN267C, ASN297A, ASN297C, ASN300A, ASN305A, ASN419C, ASP278C, ASP320A, ASP320C, ASP420C, ASP422C, CYS240A, GLN241A, GLN293C, GLN452A, GLN455A, GLN455C, GLU243A, GLU243C, GLU247A, GLU304A, GLU321A, GLU321C, GLU456A, GLY279C, HIS166A, HIS242A, HIS286C, ILE185C, LEU245A, LEU248A, LEU249A, LYS202C, LYS290A, LYS290C, LYS326A, LYS448A, LYS449A, MET287C, MET418C, PHE165A, PHE301A, PHE323A, PHE323C, PRO266A, PRO266C, PRO281C, PRO282C, SER284C, SER423C, SER425C, THR208A, THR208C, THR209A, THR209C, THR280C, THR324A, THR324C, THR424C, THR458A, THR458C, TRP285C, TYR204A, TYR204C, TYR264A, VAL205A, VAL210A, VAL263A
• A-D: ALA421A, ALA421D, ARG273A, ARG273D, ARG288A, ARG288D, ARG391A, ARG391D, ASN419A, ASN419D, ASP272A, ASP272D, ASP278A, ASP278D, ASP388A, ASP388D, ASP412A, ASP415A, ASP415D, ASP420A, ASP420D, CYS276A, CYS276D, GLN394A, GLN394D, GLU389A, GLU389D, GLU392A, GLU392D, GLU402A, GLU402D, GLU407D, GLY279A, GLY279D, HIS390A, HIS390D, LEU274A, LEU274D, LEU277A, LEU277D, LEU283A, LEU283D, LEU384A, LYS408A, LYS408D, LYS416A, LYS416D, LYS417A, LYS417D, MET418A, MET418D, PRO281A, PRO281D, PRO282A, PRO282D, PRO393A, PRO393D, SER186A, SER186D, SER275A, SER275D, SER284A, SER284D, THR280A, THR280D, TRP285A, TRP285D, TYR413A, TYR413D, VAL187A, VAL187D
• B-C: ALA421B, ALA421C, ARG183C, ARG273B, ARG273C, ARG288B, ARG288C, ARG391B, ARG391C, ASN419B, ASN419C, ASP272B, ASP272C, ASP278B, ASP278C, ASP388B, ASP388C, ASP412B, ASP415B, ASP415C, ASP420B, ASP420C, CYS276B, CYS276C, GLN394B, GLN394C, GLU389B, GLU389C, GLU392B, GLU392C, GLU402B, GLU402C, GLU411B, GLY279B, GLY279C, HIS390B, HIS390C, ILE185B, ILE185C, LEU274B, LEU274C, LEU277B, LEU277C, LEU283B, LEU283C, LEU384B, LEU384C, LYS408B, LYS408C, LYS416B, LYS416C, LYS417B, LYS417C, MET418B, MET418C, PRO184C, PRO281B, PRO281C, PRO282B, PRO282C, PRO393B, PRO393C, SER186B, SER275B, SER275C, SER284B, SER284C, THR280B, THR280C, TRP285B, TYR413B, TYR413C
• B-D: ALA322B, ALA322D, ALA421D, ALA459B, ALA459D, ARG164B, ASN206B, ASN207B, ASN207D, ASN244B, ASN267D, ASN297B, ASN300B, ASN305B, ASN419D, ASP320B, ASP320D, ASP420D, ASP422D, CYS240B, GLN241B, GLN451B, GLN452B, GLN455B, GLU243B, GLU247B, GLU304B, GLU321B, GLU321D, GLY188D, GLY279D, HIS166B, HIS242B, HIS286D, ILE185D, LEU245B, LEU248B, LEU249B, LYS202D, LYS290D, LYS326B, LYS448B, MET287D, MET418D, PHE165B, PHE301B, PHE323B, PHE323D, PRO266B, PRO266D, PRO281D, PRO282D, SER167B, SER284D, SER423D, SER425D, THR208B, THR208D, THR209B, THR209D, THR280D, THR324B, THR324D, THR424D, THR458D, TRP285D, TYR204D, TYR264B, VAL205B, VAL210B, VAL263B