3OFK

crystal structure of n-methyltransferase nods from bradyrhizobium japonicum wm9 in complex with s-adenosyl-l-homocysteine (sah)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 76
  • Norm. En. per Res.: -1.9665
• 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	-22.6198	0.0	-126.831	-149.4508	76	2	2	6143	0	14	11
A-C	0.0	0.0	-0.1811	-0.1811	2	0	0	17	0	0	2
A-D	-5.5798	37.3403	-41.0737	-9.3132	20	0	0	1410	0	7	4
B-C	-14.0658	68.1954	-221.028	-166.8983	105	5	3	9399	1	55	62
C-D	0.0	-11.7834	-91.0431	-102.8265	55	1	0	3823	1	26	23

Interface residues

• A-B: ALA105A, ALA105B, ALA78A, ALA78B, ALA82A, ALA82B, ALA95A, ALA95B, ALA96A, ALA96B, ARG68A, ARG68B, ARG77A, ARG77B, ARG81A, ARG81B, ARG85A, ARG85B, ARG88A, ARG88B, ASP73A, ASP98A, ASP98B, CYS83A, CYS83B, GLN101A, GLN101B, GLN84A, GLN84B, GLU106A, GLU106B, GLU11A, GLU11B, GLY80A, GLY80B, HIS91A, HIS91B, ILE72A, ILE72B, ILE79A, ILE79B, ILE92A, ILE92B, LEU100B, LYS87A, LYS87B, MET75A, MET75B, PHE102A, PHE102B, PRO76A, PRO76B, SER103A, SER103B, SER90A, SER90B, SER93A, SER93B, THR104A, THR104B, THR70A, THR70B, THR86A, THR86B, THR97A, THR97B, TRP89A, TRP89B, TRP94A, TRP94B, TYR7A, TYR7B, VAL71A, VAL71B, VAL74A, VAL74B
• A-C: ASP24C, GLN101A
• A-D: ARG127A, ARG127D, ASP122A, ASP122D, GLN125A, GLN125D, GLU121A, GLU121D, LEU100A, LEU100D, MET123A, MET123D, MET126A, MET126D, THR124A, THR124D, THR128A, THR128D, VAL159A, VAL159D
• B-C: ALA44B, ALA44C, ALA55B, ALA55C, ALA57B, ALA57C, ALA63B, ALA63C, ARG194B, ARG194C, ARG29B, ARG29C, ARG31B, ARG31C, ARG37B, ARG37C, ARG68B, ARG68C, ARG81B, ARG81C, ARG85B, ARG85C, ARG88B, ARG88C, ASN25B, ASN25C, ASP17B, ASP17C, ASP18B, ASP18C, ASP23B, ASP23C, ASP24B, ASP24C, CYS66B, CYS66C, GLN184C, GLN34B, GLN34C, GLN84B, GLN84C, GLU30B, GLU30C, GLU60B, GLU60C, GLY43B, GLY43C, GLY56B, GLY56C, HIS32B, HIS32C, HIS65B, HIS65C, HIS91B, HIS91C, ILE92B, ILE92C, LEU22B, LEU22C, LEU35B, LEU35C, LEU36B, LEU36C, LEU38B, LEU38C, LEU40B, LEU40C, LEU62B, LEU62C, LEU69B, LEU69C, LYS61B, LYS61C, LYS67B, LYS67C, LYS87B, LYS87C, PHE58B, PHE58C, PRO19B, PRO19C, PRO26B, PRO26C, PRO64B, PRO64C, SER39B, SER39C, SER41B, SER41C, SER42B, SER42C, SER46B, SER46C, SER90B, SER90C, THR33B, THR33C, THR86B, THR86C, TRP89B, TRP89C, VAL179B, VAL179C, VAL45B, VAL45C
• C-D: ALA148C, ALA15C, ALA172D, ARG127D, ARG12C, ARG154C, ARG155C, ARG196D, ARG200D, ARG21C, ARG31C, ASN16C, ASN197D, ASN25C, ASN5C, ASP17C, ASP187C, ASP189C, ASP24C, ASP4C, CYS153C, CYS190C, GLN8C, GLU115C, GLU13C, GLU171D, GLU175D, GLU188C, GLU199D, GLU28C, GLY140D, GLY157C, HIS158C, ILE168D, ILE203D, LEU10C, LEU169D, LEU173D, LEU22C, PHE27C, PRO139D, PRO198D, SER185C, SER201D, SER202D, SER9C, THR152C, THR167D, THR170D, THR174D, TRP156C, TRP20C, TYR118C, TYR119C, VAL176D