3LLR

crystal structure of the pwwp domain of human dna (cytosine-5-)- methyltransferase 3 alpha

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 70
  • Norm. En. per Res.: -3.1399
• 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	0.0	-0.008	-0.008	2	0	0	8	0	0	1
A-C	0.0	1.195	-16.2514	-15.0564	22	0	0	900	0	4	8
A-E	-13.9799	-56.8962	-147.524	-218.4001	78	3	1	6108	4	7	9
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-D	-20.4676	-62.442	-195.212	-278.1216	100	6	1	8095	4	23	15
C-D	-24.5906	-59.8942	-135.306	-219.7908	70	6	1	5456	4	6	9
C-E	-5.2998	-29.1326	-66.6151	-101.0475	43	0	0	2729	1	17	11

Interface residues

• A-B: LYS87A, LYS87B
• A-C: ALA47C, ALA48C, ARG44C, ARG46C, ARG92A, ASP59A, GLN88A, GLU49C, GLY43C, LYS61A, LYS87A, LYS93A, MET90A, PHE29A, PRO89A, SER45C, THR42C, TRP32A, TRP39C, TRP53C, TYR91A, VAL125A
• A-E: ALA102A, ALA124A, ALA136E, ALA79E, ALA83E, ALA94A, ARG105A, ARG35A, ASN86E, ASP59A, CYS77E, GLN100A, GLN128A, GLN141E, GLN82E, GLU134E, GLU149A, GLU97A, GLY107A, GLY107E, GLY138E, GLY139E, GLY144E, GLY19A, GLY34A, GLY43A, GLY58A, GLY60A, HIS81E, ILE133E, ILE18A, LEU109A, LEU109E, LEU137E, LEU148A, LEU21A, LEU99A, LYS108A, LYS108E, LYS130E, LYS61A, LYS93A, MET132A, MET41A, MET55A, MET90A, PHE110A, PHE110E, PHE140E, PHE57A, PHE62A, PHE76E, PHE80E, PRO111A, PRO111E, PRO131E, PRO142E, PRO145E, PRO150A, PRO151A, SER103A, SER104A, SER143E, SER38A, SER74E, SER75E, SER78E, THR42A, THR84E, TRP135E, TRP40A, TRP56A, TYR96A, VAL101A, VAL125A, VAL127E, VAL37A, VAL98A
• B-C: LYS87B, TRP40C
• B-D: ALA102D, ALA122D, ALA124D, ALA136B, ALA79B, ALA83B, ALA94D, ARG105D, ARG14B, ARG35D, ASN86B, ASP115D, ASP117D, ASP120D, ASP59D, CYS113D, CYS77B, GLN100D, GLN128D, GLN141B, GLN82B, GLU118D, GLU134B, GLU149D, GLU68B, GLU97D, GLY107B, GLY107D, GLY138B, GLY139B, GLY144B, GLY19D, GLY34D, GLY58D, GLY60D, HIS114D, HIS81B, ILE133B, ILE18D, LEU109B, LEU109D, LEU137B, LEU148D, LEU21D, LEU70B, LEU99D, LYS108B, LYS108D, LYS123D, LYS130B, LYS146B, LYS25B, LYS61D, LYS69B, LYS93D, MET132D, MET41D, MET55D, MET71B, MET90D, PHE110B, PHE110D, PHE140B, PHE16B, PHE57D, PHE62D, PHE76B, PHE80B, PRO111B, PRO111D, PRO131B, PRO142B, PRO145B, PRO150D, PRO151D, PRO72B, SER103D, SER104D, SER116D, SER119D, SER143B, SER30B, SER74B, SER75B, SER78B, THR121D, THR42D, TRP135B, TRP23B, TRP31B, TRP40D, TRP56D, TYR96D, VAL101D, VAL112D, VAL125D, VAL127B, VAL37D, VAL67B, VAL98D
• C-D: ALA102C, ALA124C, ALA136D, ALA83D, ALA94C, ARG105C, ARG35C, ASN86D, ASP59C, CYS77D, GLN100C, GLN128C, GLN141D, GLN82D, GLU134D, GLU149C, GLU97C, GLY107C, GLY107D, GLY138D, GLY139D, GLY144D, GLY19C, GLY34C, GLY58C, GLY60C, HIS81D, ILE133D, LEU109C, LEU109D, LEU137D, LEU148C, LEU21C, LEU99C, LYS108C, LYS108D, LYS130D, LYS61C, LYS93C, MET132C, MET41C, MET55C, MET90C, PHE110C, PHE110D, PHE140D, PHE57C, PHE62C, PHE76D, PHE80D, PRO131D, PRO142D, PRO145D, PRO150C, PRO151C, SER103C, SER104C, SER143D, SER74D, SER75D, SER78D, THR42C, TRP135D, TRP40C, TRP56C, TYR96C, VAL101C, VAL125C, VAL37C, VAL98C
• C-E: ALA83C, ARG105E, ARG14E, ARG27C, ARG52E, ASP12E, CYS66C, GLN88C, GLU11E, GLU149E, GLU20E, GLU49E, GLU68C, GLY13E, GLY15E, GLY17E, GLY19E, GLY28C, GLY50E, HIS81C, ILE18E, LEU148E, LEU21E, LEU26C, LYS146E, LYS25C, LYS69C, LYS87C, MET90C, PHE16E, PHE29C, PRO150E, PRO151E, PRO72E, PRO89C, SER30C, THR51C, THR84C, TRP32C, TYR10E, TYR91C, VAL64C, VAL65C