3IC3

structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium rhodopseudomonas palustrus cga009

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 168
  • Norm. En. per Res.: -7.4595
• 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	-4.7598	11.4075	-37.8518	-31.2041	29	1	0	1532	3	10	11
A-C	-109.6752	-25.4061	-166.309	-301.3904	42	11	0	5488	0	11	9
A-D	-210.0872	-23.3037	-957.633	-1191.0239	161	28	44	35821	11	56	67
B-C	-208.465	-41.1659	-1003.56	-1253.1908	168	36	45	37865	13	59	76
B-D	-37.2344	24.281	-107.221	-120.1744	38	3	1	3932	2	21	35
C-D	0.0	29.2553	-11.4823	17.773	19	1	0	512	0	9	9

Interface residues

• A-B: ALA19B, ALA57B, ARG16B, ARG55B, ARG59B, ARG63B, ARG96A, ASP12B, ASP52B, GLN7B, GLN98A, GLU44B, GLU95A, HIS56B, ILE53B, LEU48B, LEU49B, LEU50B, LEU9B, PRO10B, PRO11B, PRO8B, SER60B, THR88A, THR93A, THR94A, THR97A, VAL13B, VAL51B
• A-C: ALA25C, ALA35A, ALA35C, ALA92C, ARG24C, ARG38A, ARG38C, ARG86A, ARG96A, ARG96C, ASP29C, ASP89A, ASP89C, GLN98A, GLN98C, GLU83A, GLU95A, GLU95C, GLY30C, GLY31C, GLY91C, ILE34A, ILE34C, LEU23C, LEU28C, LEU32A, LEU32C, PHE26C, PHE36A, PHE36C, PRO87A, SER33A, SER33C, THR88A, THR90A, THR93A, THR93C, THR94A, THR94C, THR97A, THR97C, VAL27C
• A-D: ALA0A, ALA19A, ALA19D, ALA25A, ALA25D, ALA35A, ALA35D, ALA39A, ALA39D, ALA54A, ALA54D, ALA57A, ALA57D, ALA58A, ALA58D, ALA62A, ALA62D, ALA72A, ALA72D, ALA82A, ALA82D, ARG16A, ARG16D, ARG24A, ARG24D, ARG38A, ARG38D, ARG55A, ARG55D, ARG59A, ARG59D, ARG63A, ARG63D, ARG75A, ARG75D, ARG86A, ARG86D, ARG96A, ASN-1A, ASP12A, ASP12D, ASP18A, ASP18D, ASP29A, ASP29D, ASP42A, ASP42D, ASP52A, ASP52D, ASP70D, GLN6A, GLN6D, GLN7A, GLN7D, GLU14A, GLU14D, GLU17A, GLU17D, GLU21A, GLU21D, GLU41A, GLU44A, GLU44D, GLU64A, GLU64D, GLU69D, GLU74A, GLU74D, GLU78A, GLU78D, GLU81A, GLU81D, GLU83A, GLU83D, GLY15A, GLY15D, GLY30A, GLY30D, GLY31A, GLY31D, GLY3A, GLY3D, GLY47A, GLY47D, HIS56A, HIS56D, ILE20A, ILE20D, ILE34A, ILE34D, ILE53A, ILE53D, ILE76A, ILE76D, LEU23A, LEU23D, LEU28A, LEU28D, LEU32A, LEU32D, LEU48A, LEU48D, LEU49A, LEU49D, LEU50A, LEU50D, LEU73A, LEU73D, LEU84A, LEU84D, LEU9A, LEU9D, LYS5A, LYS5D, PHE26A, PHE26D, PHE36A, PHE36D, PHE40A, PHE40D, PHE80A, PHE80D, PRO10A, PRO10D, PRO11A, PRO11D, PRO43A, PRO43D, PRO4A, PRO4D, PRO87A, PRO8A, PRO8D, SER33A, SER33D, SER60A, SER60D, SER65A, SER65D, SER85A, SER85D, THR2A, THR2D, THR88A, THR93A, TRP46A, TRP46D, TYR61A, TYR61D, TYR67A, TYR67D, VAL13A, VAL13D, VAL22A, VAL22D, VAL27A, VAL27D, VAL51A, VAL51D, VAL77A, VAL77D
• B-C: ALA0B, ALA19B, ALA19C, ALA25B, ALA25C, ALA35B, ALA35C, ALA39B, ALA39C, ALA54B, ALA54C, ALA57B, ALA57C, ALA58B, ALA58C, ALA62B, ALA62C, ALA72B, ALA72C, ALA82B, ALA82C, ALA92C, ARG16B, ARG16C, ARG24B, ARG24C, ARG38B, ARG38C, ARG55B, ARG55C, ARG59B, ARG59C, ARG63B, ARG63C, ARG75B, ARG75C, ARG86B, ARG86C, ARG96C, ASP12B, ASP12C, ASP18B, ASP18C, ASP29B, ASP29C, ASP42B, ASP42C, ASP52B, ASP52C, ASP89C, GLN6B, GLN6C, GLN7B, GLN7C, GLU14B, GLU14C, GLU17B, GLU17C, GLU21B, GLU21C, GLU41B, GLU41C, GLU44B, GLU44C, GLU64B, GLU64C, GLU69C, GLU74B, GLU74C, GLU78B, GLU78C, GLU81B, GLU81C, GLU83B, GLU83C, GLU95C, GLY15B, GLY15C, GLY30B, GLY30C, GLY31B, GLY31C, GLY3B, GLY3C, GLY47B, GLY47C, GLY91C, HIS56B, HIS56C, ILE20B, ILE20C, ILE34B, ILE34C, ILE53B, ILE53C, ILE76B, ILE76C, LEU23B, LEU23C, LEU28B, LEU28C, LEU32B, LEU32C, LEU48B, LEU48C, LEU49B, LEU49C, LEU50B, LEU50C, LEU73B, LEU73C, LEU84B, LEU84C, LEU9B, LEU9C, LYS5B, LYS5C, PHE26B, PHE26C, PHE36B, PHE36C, PHE40B, PHE40C, PHE80B, PHE80C, PRO10B, PRO10C, PRO11B, PRO11C, PRO43B, PRO43C, PRO4B, PRO4C, PRO87B, PRO87C, PRO8B, PRO8C, SER33B, SER33C, SER60B, SER60C, SER65B, SER65C, SER85B, SER85C, THR2B, THR2C, THR88B, THR88C, THR93C, THR94C, THR97C, TRP46B, TRP46C, TYR61B, TYR61C, TYR67B, TYR67C, VAL13B, VAL13C, VAL22B, VAL22C, VAL27B, VAL27C, VAL51B, VAL51C, VAL77B, VAL77C
• B-D: ALA58B, ALA58D, ALA62B, ALA62D, ALA72B, ALA72D, ARG55B, ARG55D, ARG59B, ARG59D, ARG63B, ARG63D, ASP12B, ASP12D, ASP70B, ASP70D, GLU64B, GLU64D, GLU66B, GLU66D, GLU69B, GLU69D, GLU71B, GLU71D, HIS56B, HIS56D, PRO11B, PRO11D, SER60B, SER60D, SER65B, SER65D, THR68B, THR68D, TYR61B, TYR61D, TYR67B, TYR67D
• C-D: ARG55D, ARG59D, ARG63D, ARG96C, ASP12D, ASP52D, GLN7D, GLN98C, GLU69D, GLU95C, HIS56D, LEU48D, PRO10D, PRO11D, PRO8D, THR93C, THR94C, THR97C, VAL51D