3LB8

crystal structure of the covalent putidaredoxin reductase- putidaredoxin complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -3.5954
• 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	-33.3931	-157.0009	-151.173	-341.5671	95	10	1	7689	9	38	33
A-C	-90.1242	-53.6734	-154.375	-298.1726	94	16	2	7507	5	24	22
A-D	0.0	-1.0848	-0.3401	-1.4249	8	0	0	89	0	3	1
B-C	0.0	0.0	-0.1885	-0.1885	3	0	0	47	0	3	1
B-D	-107.503	-49.1677	-141.42	-298.0907	105	33	2	7588	3	25	18
C-D	0.0	-0.4304	-11.6069	-12.0373	21	0	0	1061	0	6	8

Interface residues

• A-B: ALA139A, ALA139B, ALA148A, ALA148B, ALA171A, ALA171B, ALA38A, ALA38B, ALA51A, ALA51B, ALA54A, ALA54B, ALA57A, ALA57B, ALA59A, ALA59B, ALA69B, ALA71B, ARG131A, ARG131B, ARG143A, ARG143B, ARG144A, ARG144B, ASN128A, ASN129A, ASN150A, ASN150B, ASN172A, ASN172B, ASP138A, ASP138B, ASP149A, ASP149B, ASP37B, ASP68A, ASP68B, CYS141A, CYS141B, GLN145A, GLN145B, GLU137A, GLU137B, GLU140A, GLU140B, GLU60A, GLU60B, GLY55A, GLY55B, GLY79A, GLY79B, GLY80A, GLY80B, HIS43A, HIS43B, ILE147A, ILE147B, ILE41A, ILE41B, LEU136A, LEU136B, LEU146A, LEU146B, LEU53A, LEU53B, LEU62A, LEU62B, LEU77A, LEU77B, LEU78A, LYS170A, LYS170B, LYS225A, LYS225B, LYS56A, LYS56B, PRO42B, PRO67A, PRO67B, SER61A, SER61B, THR135A, THR135B, THR39A, THR39B, THR58A, THR58B, THR66B, TYR52A, TYR52B, TYR63A, TYR63B, TYR70B, VAL40A, VAL40B
• A-C: ALA18C, ALA25A, ALA26C, ALA27C, ALA43C, ALA46C, ALA69A, ALA72A, ARG104C, ARG13C, ARG24A, ARG310A, ARG322A, ARG379A, ARG65A, ARG66C, ASN30C, ASN378A, ASN384A, ASP16C, ASP332A, ASP34C, ASP38C, ASP68A, CYS39C, CYS45C, GLN25C, GLN385A, GLN388A, GLN73A, GLU18A, GLU307A, GLU382A, GLU60A, GLU65C, GLU67C, GLU72C, GLY22A, GLY31C, GLY337A, GLY37C, GLY40C, GLY41C, GLY69C, HIS44A, ILE32C, ILE35C, ILE412A, ILE68C, ILE75A, LEU14A, LEU15C, LEU306A, LEU338A, LEU62A, LEU64A, LEU71C, LEU84C, LYS319A, LYS339A, LYS387A, LYS409A, MET24C, MET70C, PHE21A, PHE383A, PRO303A, PRO380A, PRO46A, PRO47A, PRO67A, SER26A, SER29C, SER386A, SER42C, SER44C, SER61A, SER73C, THR376A, THR47C, THR58A, THR66A, THR75C, TRP328A, TRP330A, TYR33C, TYR63A, TYR70A, VAL21C, VAL28C, VAL302A, VAL36C, VAL381A, VAL74C
• A-D: ALA18D, ASP16D, ASP19D, GLN25D, LYS170A, LYS56A, VAL17D, VAL21D
• B-C: ALA18C, LYS56B, VAL21C
• B-D: ALA18D, ALA25B, ALA26D, ALA27D, ALA43D, ALA46D, ALA57B, ALA59B, ALA69B, ALA72B, ARG13D, ARG24B, ARG310B, ARG322B, ARG379B, ARG65B, ARG66D, ASN304B, ASN30D, ASN378B, ASN384B, ASP103D, ASP16D, ASP19D, ASP332B, ASP34D, ASP38D, ASP68B, CYS39D, CYS45D, GLN25D, GLN385B, GLN388B, GLN73B, GLN87D, GLU18B, GLU307B, GLU335B, GLU382B, GLU60B, GLU65D, GLU67D, GLU72D, GLY20D, GLY22B, GLY31D, GLY337B, GLY37D, GLY40D, GLY41D, GLY69D, HIS44B, ILE32D, ILE336B, ILE35D, ILE41B, ILE68D, LEU14B, LEU15D, LEU306B, LEU338B, LEU62B, LEU64B, LEU71D, LEU78D, LEU84D, LYS339B, LYS387B, LYS409B, LYS50B, MET24D, MET340B, MET70D, PHE21B, PHE329B, PHE383B, PRO303B, PRO380B, PRO46B, PRO47B, PRO67B, SER22D, SER26B, SER29D, SER331B, SER42D, SER44D, SER61B, SER73D, THR376B, THR47D, THR58B, THR66B, THR75D, TRP328B, TRP330B, TYR33D, TYR63B, TYR70B, VAL21D, VAL28D, VAL302B, VAL36D, VAL381B, VAL74D
• C-D: ALA62D, ASP19C, ASP19D, GLU93C, GLU93D, GLY20C, GLY20D, ILE89C, ILE89D, LEU94D, LYS59C, LYS59D, MET90D, PRO61C, PRO61D, PRO92C, PRO92D, THR91C, THR91D, VAL21C, VAL60D