3M13

crystal structure of the lys265arg peg-crystallized mutant of monomeric sarcosine oxidase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 99
  • Norm. En. per Res.: -4.2167
• 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	0.0	47.892	-59.8234	-11.9314	44	1	0	2546	0	16	28
A-D	-139.1442	-8.423	-269.882	-417.4492	99	16	2	10257	6	67	59
B-C	-114.3506	15.833	-263.844	-362.3616	98	8	2	10017	4	67	57
B-D	0.0	0.0	-0.0175	-0.0175	2	0	0	4	0	5	3

Interface residues

• A-B: ALA296A, ALA305A, ARG222B, ARG295A, ASN281B, ASN306A, ASP231A, ASP276B, ASP278B, ASP290B, GLN219B, GLN273B, GLU229A, GLU232A, GLU283B, GLU289B, GLU291A, GLU299A, GLU308A, GLY261A, GLY263A, GLY272B, GLY285B, GLY304A, GLY307A, ILE275B, ILE280B, LEU298A, LEU309A, LYS207B, LYS234A, LYS274B, LYS310A, PHE228A, PHE271B, PRO288B, PRO303A, SER230A, SER233A, THR279B, TYR221B, TYR235A, TYR287B, VAL286B
• A-D: ALA155A, ALA155D, ALA160A, ALA160D, ALA162A, ALA162D, ARG154A, ARG154D, ARG157A, ARG157D, ARG163A, ARG163D, ASN143A, ASN143D, ASN151A, ASN151D, ASN237A, ASN237D, ASP238A, ASP238D, ASP240A, ASP240D, CYS262A, CYS262D, GLN69A, GLN69D, GLU158A, GLU158D, GLU161A, GLU161D, GLU232A, GLU232D, GLU74A, GLU74D, GLU76A, GLU76D, GLU78A, GLU78D, GLY145A, GLY145D, GLY164A, GLY164D, GLY260A, GLY260D, GLY261A, GLY261D, GLY88A, GLY88D, HIS80A, HIS80D, HIS81A, HIS81D, ILE239A, ILE239D, ILE83A, ILE83D, LEU159A, LEU159D, LEU75A, LEU75D, LYS24D, LYS77A, LYS77D, LYS82A, LYS82D, LYS86A, LYS86D, PHE148A, PHE148D, PHE241A, PHE241D, PHE259A, PHE259D, PHE84A, PHE84D, PRO257A, PRO257D, SER233A, SER233D, SER236A, SER236D, SER258A, SER258D, THR48A, THR48D, THR79A, THR79D, THR85A, THR85D, THR87A, THR87D, TRP72A, TRP72D, TYR20A, TYR20D, TYR73A, TYR73D, VAL146A, VAL146D
• B-C: ALA155B, ALA155C, ALA160B, ALA160C, ALA162B, ALA162C, ARG154B, ARG154C, ARG157B, ARG157C, ARG163B, ARG163C, ASN143B, ASN143C, ASN151B, ASN151C, ASN237B, ASN237C, ASP238B, ASP238C, ASP240B, ASP240C, CYS262B, CYS262C, GLN69B, GLN69C, GLU158B, GLU158C, GLU161B, GLU161C, GLU232B, GLU232C, GLU74B, GLU74C, GLU76B, GLU76C, GLU78B, GLU78C, GLY145B, GLY145C, GLY164B, GLY164C, GLY260B, GLY260C, GLY261B, GLY261C, GLY88B, GLY88C, HIS80B, HIS80C, HIS81B, HIS81C, ILE239B, ILE239C, ILE83B, ILE83C, LEU159B, LEU159C, LEU75B, LEU75C, LYS77B, LYS77C, LYS82B, LYS82C, LYS86B, LYS86C, PHE148B, PHE148C, PHE241B, PHE259B, PHE259C, PHE84B, PHE84C, PRO142C, PRO257B, PRO257C, SER233B, SER233C, SER236B, SER236C, SER258B, SER258C, THR48B, THR48C, THR79B, THR79C, THR85B, THR85C, THR87B, THR87C, TRP72B, TRP72C, TYR20B, TYR20C, TYR73B, TYR73C, VAL146B, VAL146C
• B-D: GLU308B, SER1D