2FR5

crystal structure of mouse cytidine deaminase complexed with tetrahydrouridine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 123
  • Norm. En. per Res.: -3.2059
• 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	-28.2844	77.2715	-239.879	-190.892	102	6	4	9473	0	19	23
A-C	0.0	0.0	-117.157	-117.157	56	5	5	4231	0	0	2
A-D	-48.6384	0.0172	-328.177	-376.7982	129	23	14	13948	1	17	17
B-C	-46.4828	-13.0727	-334.772	-394.3275	123	18	14	13994	1	16	15
B-D	0.0	0.0	-115.285	-115.285	56	3	5	4083	0	0	2
C-D	-43.6006	55.3633	-233.277	-221.5143	98	6	5	9319	0	19	21

Interface residues

• A-B: ALA101A, ALA101B, ALA135A, ALA135B, ARG103A, ARG103B, ARG107A, ARG107B, ARG127A, ARG127B, ARG35A, ARG35B, ARG68A, ARG68B, ASN54A, ASN54B, ASP141A, ASP141B, ASP90B, CYS102A, CYS102B, CYS31B, CYS65A, CYS99A, CYS99B, GLN104A, GLN104B, GLN130A, GLN130B, GLN143A, GLN143B, GLN92B, GLU131A, GLU131B, GLU140A, GLU140B, GLU56A, GLU56B, GLU67A, GLU67B, GLU93A, GLU93B, GLU94A, GLU94B, GLY100A, GLY100B, GLY138A, GLY138B, ILE87A, ILE87B, ILE96A, ILE96B, LEU132A, LEU132B, LEU133A, LEU133B, LEU142A, LEU142B, LEU62A, LEU62B, LEU91A, LEU91B, LYS144A, LYS144B, MET117A, MET117B, PHE137A, PHE137B, PHE36A, PHE36B, PHE95A, PHE95B, PRO134A, PRO134B, PRO139B, PRO37B, PRO61A, PRO61B, PRO98A, PRO98B, SER136A, SER136B, SER34A, SER34B, SER89A, SER89B, SER97A, SER97B, THR128A, THR128B, TYR33A, TYR33B, TYR60A, TYR60B, VAL105A, VAL105B, VAL125A, VAL125B, VAL129A, VAL129B, VAL38A, VAL38B
• A-C: ALA101A, ALA101C, ALA58A, ALA58C, ALA66A, ALA66C, ARG103A, ARG103C, ARG35A, ARG35C, ARG68A, ARG68C, ASN54A, ASN54C, ASN57A, ASN57C, CYS102A, CYS102C, CYS31A, CYS31C, CYS59A, CYS59C, CYS65A, CYS65C, CYS99A, CYS99C, GLN104C, GLU56A, GLU56C, GLU67A, GLY100A, GLY100C, GLY63A, GLY63C, ILE55A, ILE55C, LEU62A, LEU62C, PHE36A, PHE36C, PRO32A, PRO32C, PRO61A, PRO61C, PRO98A, PRO98C, SER34A, SER34C, SER97A, SER97C, TYR33A, TYR33C, TYR60A, TYR60C, VAL64A, VAL64C
• A-D: ALA101A, ALA101D, ALA25A, ALA25D, ALA29A, ALA29D, ALA40A, ALA40D, ALA58A, ALA58D, ALA66A, ALA66D, ALA70A, ALA70D, ALA74A, ALA74D, ARG103A, ARG103D, ARG107A, ARG107D, ARG35A, ARG35D, ARG48A, ARG48D, ARG68A, ARG68D, ASN54A, ASN54D, ASN57A, ASN57D, ASP141A, ASP141D, CYS102A, CYS102D, CYS31A, CYS31D, CYS53A, CYS53D, CYS59A, CYS59D, CYS65A, CYS65D, CYS99D, GLN104A, GLN104D, GLN143A, GLN143D, GLN146A, GLN72A, GLN72D, GLU108A, GLU108D, GLU140A, GLU140D, GLU56A, GLU56D, GLU77A, GLU77D, GLY100A, GLY100D, GLY110A, GLY138A, GLY138D, GLY39A, GLY39D, GLY52A, GLY52D, GLY63A, GLY63D, GLY78A, GLY78D, ILE145A, ILE55A, ILE55D, ILE71A, ILE71D, ILE75A, ILE75D, LEU133A, LEU133D, LEU142A, LEU142D, LEU62A, LEU62D, LYS144A, LYS144D, LYS27A, LYS27D, LYS73A, LYS73D, LYS80A, LYS80D, MET106A, MET106D, PHE109A, PHE109D, PHE137A, PHE137D, PHE50A, PHE50D, PHE82A, PHE82D, PRO139A, PRO139D, PRO32A, PRO32D, PRO61A, PRO61D, SER28A, SER28D, SER34D, SER51A, SER51D, SER76A, SER76D, THR69A, THR69D, TYR30A, TYR30D, TYR33A, TYR33D, TYR60A, TYR60D, TYR79A, TYR79D, VAL105A, VAL105D, VAL64A, VAL64D
• B-C: ALA101B, ALA101C, ALA25B, ALA25C, ALA29B, ALA29C, ALA40B, ALA40C, ALA58B, ALA58C, ALA66B, ALA66C, ALA70B, ALA70C, ALA74B, ALA74C, ARG103B, ARG103C, ARG107B, ARG107C, ARG48B, ARG48C, ARG68B, ARG68C, ASN54B, ASN54C, ASN57B, ASN57C, ASP141B, ASP141C, CYS102B, CYS102C, CYS31B, CYS31C, CYS53B, CYS53C, CYS59B, CYS59C, CYS65B, CYS65C, CYS99C, GLN104B, GLN104C, GLN143B, GLN143C, GLN72B, GLN72C, GLU108B, GLU108C, GLU140B, GLU140C, GLU24B, GLU24C, GLU56B, GLU56C, GLU77B, GLU77C, GLY100B, GLY100C, GLY138B, GLY138C, GLY39B, GLY39C, GLY52B, GLY52C, GLY63B, GLY63C, GLY78B, GLY78C, ILE55B, ILE55C, ILE71B, ILE71C, ILE75B, ILE75C, LEU133B, LEU133C, LEU142B, LEU142C, LEU62B, LEU62C, LYS27B, LYS27C, LYS73B, LYS73C, LYS80B, LYS80C, MET106B, MET106C, PHE109B, PHE109C, PHE137B, PHE137C, PHE50B, PHE50C, PHE82B, PHE82C, PRO139B, PRO139C, PRO32B, PRO32C, PRO61B, PRO61C, SER28B, SER28C, SER51B, SER51C, SER76B, SER76C, THR69B, THR69C, TYR30B, TYR30C, TYR33B, TYR33C, TYR60B, TYR60C, TYR79B, TYR79C, VAL105B, VAL105C, VAL64B, VAL64C
• B-D: ALA101B, ALA101D, ALA58B, ALA58D, ALA66B, ALA66D, ARG103D, ARG35B, ARG35D, ARG68B, ARG68D, ASN54B, ASN54D, ASN57B, ASN57D, CYS102B, CYS102D, CYS31B, CYS31D, CYS59B, CYS59D, CYS65B, CYS65D, CYS99B, CYS99D, GLN104D, GLU56B, GLU56D, GLU67D, GLY100B, GLY100D, GLY63B, GLY63D, ILE55B, ILE55D, LEU62B, LEU62D, PHE36B, PHE36D, PRO32B, PRO32D, PRO61B, PRO61D, PRO98B, PRO98D, SER34B, SER34D, SER97B, SER97D, TYR33B, TYR33D, TYR60B, TYR60D, VAL38B, VAL64B, VAL64D
• C-D: ALA101C, ALA101D, ALA135C, ALA135D, ARG103C, ARG103D, ARG107C, ARG107D, ARG127C, ARG127D, ARG35C, ARG35D, ARG68C, ARG68D, ASN54C, ASN54D, ASP141C, ASP141D, ASP90C, CYS102C, CYS102D, CYS65C, CYS99C, CYS99D, GLN104C, GLN104D, GLN130C, GLN130D, GLN143C, GLN143D, GLN146D, GLN92C, GLU131C, GLU131D, GLU140C, GLU140D, GLU56C, GLU56D, GLU67C, GLU67D, GLU93C, GLU93D, GLU94C, GLU94D, GLY100C, GLY100D, GLY138C, GLY138D, ILE145D, ILE87C, ILE87D, ILE96C, ILE96D, LEU132C, LEU132D, LEU133C, LEU133D, LEU142C, LEU142D, LEU62C, LEU62D, LEU91C, LEU91D, LYS144D, MET117C, MET117D, PHE137C, PHE137D, PHE36C, PHE36D, PHE95C, PHE95D, PRO134C, PRO134D, PRO139D, PRO61D, PRO98C, PRO98D, SER136C, SER136D, SER34C, SER34D, SER89C, SER89D, SER97C, SER97D, THR128C, THR128D, TYR60C, TYR60D, VAL105C, VAL105D, VAL125C, VAL125D, VAL129C, VAL129D, VAL38C, VAL38D