2OQ2

crystal structure of yeast paps reductase with pap, a product complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 103
  • Norm. En. per Res.: -3.9101
• 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	-56.0952	-38.3172	-310.856	-405.2684	104	9	3	12504	5	25	18
A-C	-12.5266	-4.6459	-28.6162	-45.7887	19	1	0	1063	0	8	8
A-D	-8.1367	14.6521	-114.625	-108.1096	66	1	0	4510	1	25	34
B-D	-27.683	-14.1442	-19.0611	-60.8883	16	3	0	778	1	7	7
C-D	-45.0026	-46.2787	-311.458	-402.7393	103	10	3	12570	7	25	17

Interface residues

• A-B: ALA35A, ALA35B, ASN21A, ASN21B, ASN7A, ASN7B, ASN8A, ASN8B, ASP18A, ASP18B, ASP9A, ASP9B, GLN14A, GLN14B, GLN16A, GLN16B, GLN23A, GLN23B, GLU15A, GLU15B, GLU22A, GLU22B, GLU28A, GLU28B, GLU32A, GLU32B, GLU66A, GLU66B, HIS151A, HIS151B, HIS19A, HIS19B, HIS43A, HIS43B, HIS5A, HIS5B, ILE10A, ILE10B, ILE11A, ILE11B, ILE173A, ILE173B, ILE25A, ILE25B, ILE33A, ILE33B, ILE38A, ILE38B, LEU17A, LEU17B, LEU182A, LEU182B, LEU24A, LEU24B, LEU27A, LEU27B, LEU44A, LEU44B, LEU64A, LEU64B, LEU6A, LEU6B, LYS26A, LYS26B, LYS2A, LYS2B, LYS67A, LYS67B, MET1A, MET1B, MET70A, PHE41A, PHE41B, PRO42A, PRO42B, PRO71A, PRO71B, SER153A, SER153B, SER37A, SER37B, SER65A, SER65B, THR13A, THR13B, THR29A, THR29B, THR3A, THR3B, THR40A, THR40B, TRP20A, TRP20B, TRP36A, TRP36B, TYR4B, TYR68A, TYR68B, TYR69A, TYR69B, VAL12A, VAL12B, VAL39A, VAL39B
• A-C: ASP211A, GLN102C, GLU228A, GLU230A, GLU66C, GLY213A, GLY229A, LEU212A, LEU64C, LYS100C, LYS196A, LYS227A, LYS67C, MET70C, PRO225A, SER65C, TYR68C, TYR69C, VAL226A
• A-D: ALA201A, ALA201D, ARG215A, ARG215D, ASN189A, ASN189D, ASN202A, ASP200A, ASP200D, ASP231A, ASP231D, GLN194A, GLN194D, GLN197A, GLN197D, GLN23A, GLN23D, GLN31A, GLN31D, GLU193A, GLU193D, GLU228A, GLU228D, GLU22A, GLU22D, GLU230A, GLU230D, GLU28A, GLU28D, GLU32D, GLY229A, GLY229D, ILE25A, ILE25D, ILE33D, LEU187A, LEU187D, LEU24A, LEU24D, LEU27A, LEU27D, LYS196A, LYS196D, LYS227A, LYS227D, LYS26A, LYS26D, MET60A, MET60D, PHE192A, PHE192D, PRO30A, PRO30D, SER162A, SER162D, THR191A, THR191D, THR29A, THR29D, TRP190A, TRP190D, TYR198A, TYR198D, VAL195A, VAL195D, VAL226A
• B-D: ASP211D, GLU228D, GLU66B, GLY213D, GLY229D, LEU212D, LEU64B, LYS100B, LYS196D, LYS227D, LYS67B, MET70B, SER65B, TYR68B, TYR69B, VAL226D
• C-D: ALA35C, ALA35D, ASN21C, ASN21D, ASN7C, ASN7D, ASN8C, ASN8D, ASP18C, ASP18D, ASP9C, ASP9D, GLN14C, GLN14D, GLN16C, GLN16D, GLN23C, GLN23D, GLU15C, GLU15D, GLU22C, GLU22D, GLU28C, GLU28D, GLU32C, GLU32D, GLU66C, GLU66D, HIS151C, HIS151D, HIS19C, HIS19D, HIS43C, HIS43D, HIS5C, HIS5D, ILE10C, ILE10D, ILE11C, ILE11D, ILE173C, ILE173D, ILE25C, ILE25D, ILE33C, ILE33D, ILE38C, ILE38D, LEU17C, LEU17D, LEU182C, LEU182D, LEU24C, LEU24D, LEU27C, LEU27D, LEU44C, LEU44D, LEU64C, LEU6C, LEU6D, LYS26C, LYS26D, LYS2C, LYS2D, LYS67C, LYS67D, MET1C, MET1D, PHE41C, PHE41D, PRO42C, PRO42D, PRO71C, PRO71D, SER153C, SER153D, SER37C, SER37D, SER65C, SER65D, THR13C, THR13D, THR29C, THR29D, THR3C, THR3D, THR40C, THR40D, TRP20C, TRP20D, TRP36C, TRP36D, TYR4C, TYR4D, TYR68C, TYR68D, TYR69C, TYR69D, VAL12C, VAL12D, VAL39C, VAL39D