3MBI

crystal structure of the phosphoribosylpyrophosphate (prpp) synthetase from thermoplasma volcanium in complex with adp-mg2+ and ribose 5- phosphate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 162
  • Norm. En. per Res.: -6.0968
• Hub Node: A(2)

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	-11.3734	1.3344	-65.7443	-75.7833	41	3	0	2442	0	13	15
A-C	-145.5053	-208.2376	-633.931	-987.674	162	28	5	22978	14	80	75
B-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	5	2
B-D	-148.6809	-208.1265	-640.443	-997.2503	165	22	5	22996	14	82	75
C-D	-35.919	-8.4646	-62.9795	-107.3631	45	4	0	2711	0	18	21

Interface residues

• A-B: ASN116A, ASN245B, ASN249B, ASP125A, GLN105A, GLN253B, GLN94A, GLU126A, GLU248B, GLU265B, GLY246B, HIS259B, HIS93A, ILE102A, ILE118A, ILE251B, ILE258B, LEU129A, LEU242B, LEU252B, LYS127A, LYS133A, LYS135A, LYS250B, LYS267B, PHE136A, PHE243B, PHE268B, SER104A, SER112A, SER117A, SER130A, SER132A, SER137A, SER247B, SER266B, THR108A, THR128A, TYR131A, VAL134A, VAL244B
• A-C: ALA60A, ALA60C, ALA71A, ALA71C, ALA90A, ALA90C, ARG186A, ARG186C, ARG190A, ARG190C, ARG30A, ARG30C, ARG31A, ARG31C, ARG40A, ARG40C, ARG91A, ARG91C, ARG95A, ARG95C, ASN245A, ASN245C, ASN98A, ASN98C, ASP188A, ASP188C, ASP189A, ASP189C, ASP28A, ASP28C, ASP34A, ASP34C, ASP42A, ASP42C, ASP44A, ASP44C, ASP59A, ASP59C, ASP74A, ASP74C, GLN105A, GLN105C, GLN73A, GLN73C, GLN92A, GLN92C, GLU100A, GLU100C, GLU109A, GLU109C, GLU36A, GLU36C, GLU43A, GLU43C, GLU61A, GLU61C, GLU64A, GLU64C, GLY216A, GLY216C, GLY217A, GLY217C, GLY35A, GLY35C, GLY88A, GLY88C, GLY99A, GLY99C, HIS57A, HIS57C, ILE102A, ILE102C, ILE106A, ILE106C, ILE110A, ILE110C, ILE187C, ILE212A, ILE212C, ILE213A, ILE213C, ILE66A, ILE66C, ILE72A, ILE72C, LEU107A, LEU107C, LEU242A, LEU242C, LEU37A, LEU37C, LEU39A, LEU39C, LEU45A, LEU45C, LEU67A, LEU67C, LEU69A, LEU69C, LYS133C, LYS250A, LYS97A, LYS97C, MET63A, MET63C, MET65A, MET65C, PHE243A, PHE243C, PHE32A, PHE32C, PRO101A, PRO101C, PRO27A, PRO27C, PRO33A, PRO33C, SER103A, SER103C, SER104A, SER104C, SER113A, SER113C, SER214A, SER214C, SER247A, SER58A, SER58C, SER70A, SER70C, THR108A, THR108C, THR191A, THR191C, THR215A, THR215C, THR56A, THR56C, THR68A, THR68C, TYR111A, TYR111C, TYR114A, TYR114C, TYR38A, TYR38C, TYR41A, TYR41C, TYR75A, TYR75C, TYR86A, TYR86C, TYR87A, TYR87C, TYR89A, TYR89C, TYR96A, TYR96C, VAL244A, VAL244C, VAL62A, VAL62C
• B-C: PRO33B, SER130C
• B-D: ALA60B, ALA60D, ALA71B, ALA71D, ALA90B, ALA90D, ARG186B, ARG186D, ARG190B, ARG190D, ARG30B, ARG30D, ARG31B, ARG31D, ARG40B, ARG40D, ARG91B, ARG91D, ARG95B, ARG95D, ASN245B, ASN245D, ASN98B, ASN98D, ASP188B, ASP188D, ASP189B, ASP189D, ASP28B, ASP28D, ASP34B, ASP34D, ASP42B, ASP42D, ASP44B, ASP44D, ASP59B, ASP59D, ASP74B, ASP74D, GLN105B, GLN105D, GLN73B, GLN73D, GLN92B, GLN92D, GLN94B, GLN94D, GLU100B, GLU100D, GLU109B, GLU109D, GLU36B, GLU36D, GLU43B, GLU43D, GLU61B, GLU61D, GLU64B, GLU64D, GLY216B, GLY216D, GLY217B, GLY217D, GLY35B, GLY35D, GLY88B, GLY88D, GLY99B, GLY99D, HIS57B, HIS57D, ILE102B, ILE102D, ILE106B, ILE106D, ILE110B, ILE110D, ILE187B, ILE187D, ILE212B, ILE212D, ILE213B, ILE213D, ILE66B, ILE66D, ILE72B, ILE72D, LEU107B, LEU107D, LEU242B, LEU242D, LEU37B, LEU37D, LEU39B, LEU39D, LEU45B, LEU45D, LEU67B, LEU67D, LEU69B, LEU69D, LYS133B, LYS133D, LYS250B, LYS97B, LYS97D, MET63B, MET63D, MET65B, MET65D, PHE243B, PHE243D, PHE32B, PHE32D, PRO101B, PRO101D, PRO27B, PRO27D, PRO33B, PRO33D, SER103B, SER103D, SER104B, SER104D, SER113B, SER113D, SER214B, SER214D, SER58B, SER58D, SER70B, SER70D, THR108B, THR108D, THR191B, THR191D, THR215B, THR215D, THR56B, THR56D, THR68B, THR68D, TYR111B, TYR111D, TYR114B, TYR114D, TYR38B, TYR38D, TYR41B, TYR41D, TYR75B, TYR75D, TYR86B, TYR86D, TYR87B, TYR87D, TYR89B, TYR89D, TYR96B, TYR96D, VAL244B, VAL244D, VAL62B, VAL62D
• C-D: ALA166C, ALA169C, ARG167C, ARG190D, ASN245D, ASN249D, ASN279C, ASP122C, ASP125C, ASP138C, ASP170C, ASP283C, GLN253D, GLU126C, GLU248D, GLY246D, HIS140C, ILE118C, ILE123C, ILE284C, LEU129C, LEU139C, LEU165C, LEU242D, LEU252D, LYS127C, LYS133C, LYS135C, LYS250D, LYS267D, PHE136C, PHE243D, PHE268D, SER112C, SER130C, SER132C, SER137C, SER247D, SER266D, THR108C, THR128C, TYR131C, TYR280C, VAL134C, VAL244D