3IEC

helicobacter pylori caga inhibits par1/mark family kinases by mimicking host substrates

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 85
  • Norm. En. per Res.: -5.756
• 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-B	-3.7817	-34.063	-57.6454	-95.4902	42	3	0	2724	2	14	12
A-C	0.0	0.0	-0.3999	-0.3999	13	0	0	100	0	1	4
A-D	-20.0378	21.284	-129.1	-127.8538	84	3	4	5143	10	27	33
A-E	-89.5025	-103.8246	-295.935	-489.2621	85	11	8	10311	10	37	26
B-C	-2.4218	-11.8713	-105.216	-119.5091	48	2	2	4059	0	11	10
B-F	-81.6322	-100.5256	-299.542	-481.6998	88	13	8	10645	10	37	28
C-D	0.0	-0.9613	-4.8992	-5.8605	9	5	0	421	1	2	4
C-F	0.0	0.0	-1.782	-1.782	8	0	0	281	0	1	1
C-G	-102.5599	-99.6924	-291.978	-494.2303	86	11	8	10456	10	36	25
D-H	-76.3394	-102.4757	-276.646	-455.4611	88	15	8	10319	11	37	26

Interface residues

• A-B: ARG261B, ARG264B, ARG268B, ARG302A, ASN279A, ASN279B, ASN305A, ASP276A, ASP301A, CYS277A, GLU149A, GLU260B, GLU278A, GLU278B, GLU309A, GLU312A, GLY265B, GLY307A, ILE269A, ILE269B, LEU263B, LEU287B, LYS266B, LYS282A, LYS282B, LYS283A, LYS300A, MET273A, MET273B, PHE271A, PHE271B, PRO270A, PRO270B, SER274A, SER274B, THR275A, THR275B, TRP303A, TYR267B, TYR272A, TYR272B, VAL306A
• A-C: ARG54C, GLN297A, GLY336C, ILE73C, LEU74C, LYS205A, LYS283A, LYS291A, LYS300A, MET335C, SER290A, SER334C, VAL333C
• A-D: ARG102A, ARG102D, ARG350A, ARG350D, ARG99A, ARG99D, ASN204A, ASN204D, ASN90A, ASN90D, ASP344A, ASP344D, GLN168A, GLN168D, GLN343A, GLN343D, GLN349A, GLN349D, GLN95A, GLN95D, GLU120A, GLU120D, GLU122A, GLU122D, GLU340A, GLU340D, GLU341A, GLU341D, GLY203A, GLY203D, GLY348A, GLY348D, LEU125A, LEU125D, LEU346A, LEU346D, LEU89A, LEU89D, LEU94A, LEU94D, LEU97A, LEU97D, LYS105A, LYS105D, LYS169A, LYS169D, LYS324A, LYS324D, LYS86A, LYS86D, LYS96A, LYS96D, PHE170A, PHE170D, PHE200A, PHE200D, PHE202A, PHE202D, PHE98A, PHE98D, PRO321A, PRO321D, SER345A, SER345D, SER91A, SER91D, SER92A, SER92D, SER93A, SER93D, THR121A, THR121D, THR201A, THR201D, THR87A, THR87D, TYR323A, TYR323D, VAL106A, VAL106D, VAL118A, VAL118D, VAL347A, VAL347D
• A-E: ALA143A, ALA178A, ALA192A, ALA216A, ALA217A, ARG174A, ARG259A, ARG261A, ARG268A, ARG952E, ASN180A, ASN254A, ASP139A, ASP175A, ASP193A, ASP207A, ASP251A, ASP954E, ASP957E, ASP958E, CYS210A, GLN222A, GLN253A, GLU100A, GLU136A, GLU179A, GLU219A, GLU257A, GLY145A, GLY195A, GLY211A, GLY223A, GLY246A, GLY252A, HIS144A, HIS173A, HIS953E, LEU141A, LEU220A, LEU243A, LEU248A, LEU255A, LEU258A, LEU263A, LEU950E, LEU959E, LYS177A, LYS224A, LYS266A, LYS82A, LYS951E, LYS955E, LYS961E, LYS96A, PHE138A, PHE194A, PHE196A, PHE209A, PHE221A, PHE250A, PHE948E, PRO213A, PRO214A, PRO218A, PRO249A, PRO949E, SER197A, SER212A, SER245A, SER247A, SER960E, THR208A, THR242A, TRP146A, TYR140A, TYR215A, TYR226A, TYR241A, TYR267A, VAL137A, VAL142A, VAL231A, VAL238A, VAL262A, VAL956E
• B-C: ALA143B, ARG268B, ARG327C, ARG328C, ARG339C, ASP322C, ASP325C, GLN343C, GLU149B, GLU151B, GLU330C, GLU340C, GLY145B, GLY246B, GLY336C, HIS144B, ILE269B, ILE342C, LEU141B, LEU243B, LEU248B, LEU331C, LEU346C, LYS148B, LYS324C, MET147B, MET273B, MET335C, PHE271B, PRO270B, PRO321C, PRO326C, SER245B, SER247B, SER274B, SER334C, THR329C, THR338C, TRP146B, TYR140B, TYR241B, TYR272B, TYR323C, TYR337C, TYR358C, VAL142B, VAL244B, VAL333C
• B-F: ALA143B, ALA178B, ALA216B, ALA217B, ARG174B, ARG259B, ARG261B, ARG264B, ARG268B, ARG952F, ASN180B, ASN254B, ASP139B, ASP175B, ASP193B, ASP207B, ASP251B, ASP954F, ASP957F, ASP958F, CYS210B, GLN222B, GLN253B, GLU100B, GLU136B, GLU179B, GLU219B, GLU257B, GLY145B, GLY195B, GLY211B, GLY223B, GLY246B, GLY252B, GLY62B, HIS144B, HIS173B, HIS953F, ILE239B, LEU141B, LEU220B, LEU243B, LEU248B, LEU255B, LEU258B, LEU263B, LEU950F, LEU959F, LYS177B, LYS224B, LYS256B, LYS266B, LYS82B, LYS951F, LYS955F, LYS961F, LYS96B, PHE138B, PHE194B, PHE196B, PHE209B, PHE221B, PHE250B, PHE948F, PRO213B, PRO214B, PRO218B, PRO249B, PRO949F, SER197B, SER212B, SER245B, SER247B, SER92B, SER960F, THR208B, THR242B, TRP146B, TYR140B, TYR215B, TYR241B, TYR267B, VAL137B, VAL142B, VAL231B, VAL238B, VAL262B, VAL956F
• C-D: ASN288D, GLU122C, ILE286D, LYS123C, LYS291D, SER290D, THR121C, THR124C, THR87C
• C-F: ARG327C, ARG328C, ASP325C, GLU330C, LEU950F, PHE948F, PRO326C, PRO949F
• C-G: ALA143C, ALA178C, ALA192C, ALA216C, ALA217C, ARG174C, ARG259C, ARG261C, ARG268C, ARG952G, ASN180C, ASN254C, ASP139C, ASP175C, ASP193C, ASP207C, ASP251C, ASP954G, ASP957G, ASP958G, CYS210C, GLN222C, GLN253C, GLU100C, GLU136C, GLU179C, GLU219C, GLU257C, GLY145C, GLY195C, GLY211C, GLY223C, GLY246C, GLY252C, HIS173C, HIS953G, LEU141C, LEU220C, LEU243C, LEU248C, LEU255C, LEU258C, LEU263C, LEU950G, LEU959G, LYS177C, LYS224C, LYS256C, LYS266C, LYS82C, LYS951G, LYS955G, LYS961G, LYS96C, PHE138C, PHE194C, PHE196C, PHE209C, PHE221C, PHE250C, PHE948G, PRO213C, PRO214C, PRO218C, PRO249C, PRO949G, SER197C, SER212C, SER245C, SER247C, SER93C, SER960G, THR208C, THR242C, TRP146C, TYR140C, TYR215C, TYR226C, TYR241C, TYR267C, VAL137C, VAL142C, VAL231C, VAL238C, VAL262C, VAL956G
• D-H: ALA143D, ALA178D, ALA216D, ALA217D, ALA65D, ARG174D, ARG259D, ARG261D, ARG268D, ARG952H, ASN180D, ASN254D, ASP139D, ASP175D, ASP193D, ASP207D, ASP251D, ASP954H, ASP957H, ASP958H, CYS210D, GLN222D, GLN253D, GLU100D, GLU136D, GLU179D, GLU219D, GLU257D, GLY145D, GLY195D, GLY211D, GLY223D, GLY246D, GLY252D, HIS144D, HIS173D, HIS953H, LEU141D, LEU220D, LEU243D, LEU248D, LEU255D, LEU258D, LEU263D, LEU950H, LEU959H, LYS177D, LYS224D, LYS256D, LYS266D, LYS82D, LYS951H, LYS955H, LYS961H, LYS96D, PHE138D, PHE194D, PHE196D, PHE209D, PHE221D, PHE250D, PHE948H, PRO213D, PRO214D, PRO218D, PRO249D, PRO949H, SER197D, SER212D, SER245D, SER247D, SER92D, SER93D, SER960H, THR208D, THR242D, TRP146D, TYR140D, TYR215D, TYR226D, TYR241D, TYR267D, VAL137D, VAL142D, VAL231D, VAL238D, VAL262D, VAL956H