3JUJ

the crystal structure of apo- udp-glucose pyrophosphorylase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 85
  • Norm. En. per Res.: -4.4044
• 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	-79.8048	-37.8348	-470.584	-588.2236	159	41	9	21859	1	57	42
A-C	0.0	9.8905	-9.4138	0.4766	14	0	0	460	0	8	18
A-D	-61.2772	-156.209	-156.887	-374.3733	85	16	3	7707	14	48	28
B-C	-44.8237	-76.6455	-150.645	-272.1142	90	9	3	7410	7	49	29
B-D	0.0	19.799	-23.0205	-3.2215	26	6	1	1308	1	11	18
C-D	-39.5682	-53.5904	-464.21	-557.3686	162	35	12	21739	2	55	40

Interface residues

• A-B: ALA264A, ALA264B, ALA267A, ALA267B, ALA84A, ALA84B, ARG101B, ARG15A, ARG15B, ARG272A, ARG272B, ARG57A, ARG57B, ARG60A, ARG60B, ARG89A, ARG89B, ASN266A, ASN266B, ASN58A, ASN58B, ASN80A, ASN80B, ASN83A, ASN83B, ASP32A, ASP32B, ASP64A, ASP64B, ASP67A, ASP67B, GLN104A, GLN104B, GLN37A, GLN37B, GLN75A, GLN75B, GLU259A, GLU259B, GLU263A, GLU263B, GLU26A, GLU26B, GLU63A, GLU63B, GLU71A, GLU71B, GLU73A, GLU73B, GLU82A, GLU82B, GLY13A, GLY13B, GLY260A, GLY260B, GLY56A, HIS74A, ILE19A, ILE19B, ILE23A, ILE23B, ILE262A, ILE262B, ILE30A, ILE30B, ILE36A, ILE36B, ILE72A, ILE72B, ILE76A, ILE76B, ILE88A, ILE88B, ILE91A, ILE91B, ILE92A, ILE92B, LEU17A, LEU17B, LEU28A, LEU28B, LEU35A, LEU35B, LEU62A, LEU62B, LEU85A, LEU85B, LYS103A, LYS103B, LYS106A, LYS106B, LYS21A, LYS21B, LYS25A, LYS25B, LYS270A, LYS270B, LYS33A, LYS33B, LYS59A, LYS59B, LYS81A, LYS81B, LYS86A, LYS86B, MET105A, MET105B, MET27A, MET27B, PHE16A, PHE16B, PHE66A, PHE66B, PRO18A, PRO18B, PRO24A, PRO24B, PRO29A, PRO29B, PRO34A, PRO34B, SER257A, SER257B, SER265A, SER265B, SER61A, SER61B, SER69A, SER69B, SER87A, SER87B, THR14A, THR14B, THR20A, THR20B, THR22A, THR22B, THR68A, THR68B, THR79A, THR79B, TYR12A, TYR12B, TYR261A, TYR261B, TYR268A, TYR268B, TYR269A, TYR269B, TYR38A, TYR38B, TYR65A, TYR65B, TYR70A, TYR70B, VAL258A, VAL258B, VAL31A, VAL31B
• A-C: ARG60A, ARG60C, ASP64A, GLU71A, GLU71C, HIS74C, LYS59C, SER61A, SER69A, SER69C, THR68A, THR68C, TYR70A, TYR70C
• A-D: ALA117A, ALA117D, ALA52A, ALA52D, ARG101A, ARG101D, ARG57A, ARG57D, ARG60A, ARG60D, ASN121A, ASN121D, ASN58A, ASP64A, ASP64D, ASP67A, ASP67D, CYS95A, CYS95D, CYS96A, CYS96D, GLN102A, GLN104A, GLN104D, GLU116A, GLU116D, GLU122A, GLU122D, GLU49D, GLU63A, GLU63D, GLU93A, GLU93D, GLY115A, GLY120A, GLY120D, GLY56A, GLY56D, ILE119A, ILE119D, ILE53A, ILE53D, ILE92A, ILE92D, LEU113A, LEU118A, LEU118D, LEU62A, LEU62D, LYS103A, LYS103D, LYS4A, LYS4D, LYS59A, LYS59D, LYS94D, MET51A, MET51D, PHE66A, PHE66D, PHE97A, PHE97D, SER61A, SER61D, SER69A, SER69D, SER98A, SER98D, THR114A, THR114D, THR55A, THR55D, THR68A, THR68D, TYR12A, TYR65A, TYR65D, TYR70A, TYR70D, TYR99A, TYR99D, VAL100A, VAL100D, VAL50A, VAL50D
• B-C: ALA117B, ALA117C, ALA52B, ALA52C, ARG101B, ARG101C, ARG57B, ARG57C, ARG60B, ARG60C, ASN121B, ASN121C, ASN58B, ASN58C, ASP64B, ASP64C, ASP67B, ASP67C, CYS95B, CYS96B, CYS96C, GLN102B, GLN102C, GLN104B, GLN104C, GLU116B, GLU116C, GLU122B, GLU122C, GLU49B, GLU63B, GLU63C, GLU71B, GLU93B, GLU93C, GLY115C, GLY120B, GLY120C, GLY56B, GLY56C, ILE119B, ILE119C, ILE53B, ILE53C, ILE92B, ILE92C, LEU118B, LEU118C, LEU62B, LEU62C, LYS103B, LYS103C, LYS3B, LYS4B, LYS4C, LYS59B, LYS59C, LYS94B, MET51B, MET51C, PHE66B, PHE66C, PHE97B, PHE97C, SER61B, SER61C, SER69B, SER69C, SER98B, SER98C, THR114B, THR114C, THR22B, THR22C, THR55B, THR55C, THR68B, THR68C, TYR12C, TYR65B, TYR65C, TYR70B, TYR70C, TYR99B, TYR99C, VAL100B, VAL100C, VAL50B, VAL50C, VAL54C
• B-D: ARG60B, ARG60D, ASP64B, ASP64D, ASP67B, ASP67D, GLN75B, GLN75D, GLN77D, GLU63D, GLU71B, GLU71D, GLU73B, GLU73D, HIS74B, HIS74D, ILE72B, ILE72D, LYS59D, SER61D, SER69B, SER69D, THR68B, THR68D, TYR70B, TYR70D
• C-D: ALA10D, ALA264C, ALA264D, ALA267C, ALA267D, ALA84C, ALA84D, ARG15C, ARG15D, ARG272C, ARG272D, ARG57C, ARG57D, ARG60C, ARG60D, ARG89C, ARG89D, ASN225D, ASN266C, ASN266D, ASN58C, ASN58D, ASN80C, ASN80D, ASN83C, ASN83D, ASP32C, ASP32D, ASP64C, ASP64D, ASP67C, ASP67D, GLN104C, GLN104D, GLN37C, GLN37D, GLN75C, GLN75D, GLN77C, GLU259C, GLU259D, GLU263C, GLU263D, GLU26C, GLU26D, GLU63C, GLU63D, GLU71C, GLU71D, GLU73C, GLU73D, GLU82C, GLU82D, GLY11C, GLY11D, GLY13C, GLY13D, GLY260C, GLY260D, GLY56C, GLY56D, GLY78C, ILE19C, ILE19D, ILE23C, ILE23D, ILE262C, ILE262D, ILE30C, ILE30D, ILE36C, ILE36D, ILE72C, ILE72D, ILE76C, ILE76D, ILE88C, ILE88D, ILE91C, ILE91D, ILE92C, ILE92D, LEU17C, LEU17D, LEU28C, LEU28D, LEU35C, LEU35D, LEU62C, LEU62D, LEU85C, LEU85D, LYS103C, LYS106C, LYS21C, LYS21D, LYS25C, LYS25D, LYS270C, LYS270D, LYS33C, LYS33D, LYS59C, LYS59D, LYS81C, LYS81D, LYS86C, LYS86D, MET105C, MET105D, MET27C, MET27D, PHE16C, PHE16D, PHE66C, PHE66D, PRO18C, PRO18D, PRO24C, PRO24D, PRO29C, PRO29D, PRO34C, PRO34D, SER257C, SER257D, SER265C, SER265D, SER61C, SER61D, SER69C, SER69D, SER87C, SER87D, THR14C, THR14D, THR20C, THR20D, THR22C, THR22D, THR68C, THR68D, THR79C, THR79D, TYR12C, TYR12D, TYR261C, TYR261D, TYR268C, TYR268D, TYR269C, TYR269D, TYR38C, TYR38D, TYR65C, TYR65D, TYR70C, TYR70D, VAL258C, VAL258D, VAL31C, VAL31D