3RHH

crystal structure of nadp-dependent glyceraldehyde-3-phosphate dehydrogenase from bacillus halodurans c-125 complexed with nadp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 260
  • Norm. En. per Res.: -3.2859
• 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	-15.1642	0.4942	-81.8042	-96.4742	66	6	2	3829	3	37	35
A-C	-38.2729	-31.0858	-196.678	-266.0367	96	9	0	7965	2	53	57
A-D	-158.6832	-51.2788	-617.938	-827.9	256	34	14	28324	4	89	105
B-C	-155.0122	-59.5838	-639.747	-854.343	260	29	12	28218	6	95	108
B-D	-49.8345	-13.4977	-198.179	-261.5112	100	8	0	8303	2	53	59
C-D	-10.2454	-1.152	-113.279	-124.6764	81	9	3	5229	1	41	39

Interface residues

• A-B: ALA121A, ALA121B, ALA124A, ALA124B, ALA426A, ALA484B, ARG118A, ARG118B, ARG126A, ARG126B, ARG425A, ARG425B, ASN128A, ASN128B, ASN428A, ASN428B, ASN482A, ASN482B, ASP115A, ASP122A, ASP122B, ASP424A, ASP424B, GLU123A, GLU123B, HIS119A, HIS119B, HIS432A, HIS432B, HIS450A, HIS450B, ILE145A, ILE145B, ILE427A, ILE427B, ILE429A, ILE440A, ILE466A, ILE466B, ILE70B, LEU125A, LEU125B, LEU147A, LEU147B, LEU470A, LEU470B, LEU481A, LEU481B, LEU483A, LEU483B, LYS133A, LYS133B, LYS143A, LYS143B, LYS431A, LYS431B, LYS467A, LYS467B, PRO452A, PRO452B, THR120A, THR120B, THR423A, THR423B, TYR78A, TYR78B
• A-C: ALA124A, ALA124C, ALA146A, ALA146C, ARG126A, ARG126C, ARG150A, ARG150C, ARG425A, ARG425C, ARG68A, ARG68C, ARG73A, ARG73C, ASN128A, ASN128C, ASN441A, ASN441C, ASP122A, ASP135A, ASP135C, ASP422A, ASP422C, ASP424A, ASP424C, ASP75A, ASP75C, GLN136A, GLN136C, GLU123A, GLU123C, GLU130A, GLU130C, GLU149A, GLU149C, GLU72A, GLU72C, GLY129A, GLY129C, GLY134A, GLY134C, GLY139A, GLY139C, GLY140A, GLY140C, HIS71A, HIS71C, ILE145A, ILE145C, ILE427A, ILE427C, ILE440A, ILE440C, ILE67A, ILE67C, ILE70A, ILE70C, LEU125A, LEU125C, LEU127A, LEU127C, LEU132A, LEU132C, LEU147A, LEU147C, LEU481A, LEU481C, LEU483A, LEU483C, LYS133A, LYS133C, LYS138A, LYS138C, LYS143A, LYS143C, LYS421A, LYS421C, PHE137A, PHE137C, PRO69A, PRO69C, SER141A, SER141C, SER142A, SER142C, THR131A, THR131C, THR420A, THR420C, THR423A, THR423C, TYR78A, VAL148A, VAL148C, VAL74A, VAL74C
• A-D: ALA114A, ALA114D, ALA146A, ALA146D, ALA251A, ALA251D, ALA416A, ALA416D, ALA426A, ALA426D, ALA442A, ALA442D, ARG112A, ARG112D, ARG118A, ARG118D, ARG150A, ARG150D, ARG246A, ARG246D, ARG446A, ARG475A, ARG475D, ARG477A, ARG477D, ARG68D, ARG73D, ASN167A, ASN408A, ASN408D, ASN428A, ASN428D, ASN441A, ASN441D, ASN482A, ASN482D, ASP115A, ASP115D, ASP135A, ASP135D, ASP233A, ASP233D, ASP411A, ASP424A, ASP424D, ASP449A, ASP449D, GLN136A, GLN136D, GLN280A, GLN280D, GLN415A, GLN415D, GLN464A, GLN464D, GLN62D, GLU123A, GLU123D, GLU130A, GLU130D, GLU149A, GLU149D, GLU151A, GLU151D, GLU245A, GLU245D, GLU249A, GLU249D, GLU259A, GLU434A, GLU434D, GLU445A, GLU445D, GLU476A, GLU476D, GLU85A, GLU85D, GLY134A, GLY134D, GLY139A, GLY139D, GLY140A, GLY140D, GLY180D, GLY244A, GLY244D, GLY261D, GLY413A, GLY413D, GLY430A, GLY430D, GLY436A, GLY436D, GLY447A, GLY447D, GLY455A, GLY455D, GLY460A, GLY460D, GLY462A, GLY462D, HIS119A, HIS119D, HIS432A, HIS432D, HIS439A, HIS439D, HIS450A, HIS450D, ILE116A, ILE116D, ILE117A, ILE117D, ILE145A, ILE145D, ILE247A, ILE247D, ILE254A, ILE254D, ILE418A, ILE418D, ILE427A, ILE427D, ILE429A, ILE429D, ILE440A, ILE440D, ILE466A, ILE466D, ILE64D, ILE67A, ILE67D, LEU132A, LEU132D, LEU147A, LEU147D, LEU153A, LEU153D, LEU258A, LEU258D, LEU260A, LEU260D, LEU276A, LEU276D, LEU414A, LEU414D, LEU433A, LEU433D, LEU454A, LEU454D, LEU461A, LEU461D, LEU471A, LEU471D, LEU481A, LEU481D, LEU483A, LEU483D, LYS133A, LYS133D, LYS138A, LYS138D, LYS143D, LYS144A, LYS144D, LYS250A, LYS250D, LYS252A, LYS252D, LYS431A, LYS431D, LYS443A, LYS443D, LYS457A, LYS457D, LYS458A, LYS458D, LYS467A, LYS467D, LYS59D, LYS63A, LYS63D, LYS66A, LYS66D, MET234A, MET234D, MET253A, MET253D, PHE137A, PHE137D, PHE419A, PHE419D, PHE451A, PHE451D, PHE453A, PHE453D, PRO152A, PRO152D, PRO230A, PRO230D, PRO255A, PRO255D, PRO448A, PRO448D, PRO452A, PRO452D, PRO468A, PRO468D, SER111A, SER111D, SER141A, SER141D, SER142D, SER248A, SER248D, SER417A, SER417D, SER459A, SER459D, THR113A, THR113D, THR120A, THR120D, THR131A, THR131D, THR179D, THR241A, THR241D, THR242A, THR420A, THR423A, THR423D, THR437A, THR437D, THR444A, THR444D, THR474A, THR474D, THR479A, THR479D, VAL148A, VAL148D, VAL256A, VAL256D, VAL435A, VAL435D, VAL438A, VAL438D, VAL456A, VAL456D, VAL463A, VAL463D, VAL478A, VAL478D, VAL480A, VAL480D
• B-C: ALA114B, ALA114C, ALA146B, ALA146C, ALA251B, ALA251C, ALA416B, ALA416C, ALA426B, ALA426C, ALA442B, ALA442C, ALA484B, ARG112B, ARG112C, ARG118B, ARG118C, ARG150B, ARG150C, ARG246B, ARG246C, ARG446B, ARG446C, ARG475B, ARG475C, ARG477B, ARG477C, ARG68B, ARG73B, ASN167C, ASN408B, ASN408C, ASN428B, ASN428C, ASN441B, ASN441C, ASN482B, ASN482C, ASP115B, ASP115C, ASP135B, ASP135C, ASP233B, ASP233C, ASP424B, ASP424C, ASP449B, ASP449C, GLN136B, GLN136C, GLN280B, GLN280C, GLN415B, GLN415C, GLN464B, GLN464C, GLN62B, GLU123B, GLU123C, GLU130B, GLU130C, GLU149B, GLU149C, GLU151B, GLU151C, GLU228C, GLU245B, GLU245C, GLU249B, GLU249C, GLU259C, GLU434B, GLU434C, GLU445B, GLU445C, GLU476B, GLU476C, GLU85B, GLU85C, GLY134B, GLY134C, GLY139B, GLY139C, GLY140B, GLY140C, GLY180B, GLY240C, GLY244B, GLY244C, GLY261B, GLY261C, GLY413B, GLY413C, GLY430B, GLY430C, GLY436B, GLY436C, GLY447B, GLY447C, GLY455B, GLY455C, GLY460B, GLY460C, GLY462B, GLY462C, HIS119B, HIS119C, HIS432B, HIS432C, HIS439B, HIS439C, HIS450B, HIS450C, ILE116B, ILE116C, ILE117B, ILE117C, ILE145B, ILE145C, ILE247B, ILE247C, ILE254B, ILE254C, ILE418B, ILE418C, ILE427B, ILE427C, ILE429B, ILE429C, ILE440B, ILE440C, ILE466B, ILE466C, ILE64B, ILE67B, ILE67C, LEU132B, LEU132C, LEU147B, LEU147C, LEU153B, LEU153C, LEU258B, LEU258C, LEU260B, LEU260C, LEU276B, LEU276C, LEU414B, LEU414C, LEU433B, LEU433C, LEU454B, LEU454C, LEU461B, LEU461C, LEU471B, LEU471C, LEU481B, LEU481C, LEU483B, LEU483C, LYS133B, LYS133C, LYS138B, LYS138C, LYS143C, LYS144B, LYS144C, LYS250B, LYS250C, LYS252B, LYS252C, LYS431B, LYS431C, LYS443B, LYS443C, LYS457B, LYS457C, LYS458B, LYS458C, LYS467B, LYS467C, LYS59B, LYS59C, LYS63B, LYS63C, LYS66B, LYS66C, MET234B, MET234C, MET253B, MET253C, PHE137B, PHE137C, PHE237B, PHE237C, PHE419C, PHE451B, PHE451C, PHE453B, PHE453C, PRO152B, PRO152C, PRO230B, PRO230C, PRO255B, PRO255C, PRO448B, PRO448C, PRO452B, PRO452C, PRO468B, PRO468C, SER111B, SER111C, SER141B, SER141C, SER142B, SER248B, SER248C, SER417B, SER417C, SER459B, SER459C, THR113B, THR113C, THR120B, THR120C, THR131B, THR131C, THR179B, THR241B, THR241C, THR423B, THR423C, THR437B, THR437C, THR444B, THR444C, THR474B, THR474C, THR479B, THR479C, VAL148B, VAL148C, VAL256B, VAL256C, VAL435B, VAL435C, VAL438B, VAL438C, VAL456B, VAL456C, VAL463B, VAL463C, VAL478B, VAL478C, VAL480B, VAL480C
• B-D: ALA124B, ALA124D, ALA146B, ALA146D, ARG126B, ARG126D, ARG150D, ARG425B, ARG425D, ARG68B, ARG68D, ARG73B, ARG73D, ASN128B, ASN128D, ASN441B, ASN441D, ASN486D, ASP122B, ASP135B, ASP135D, ASP422B, ASP422D, ASP424B, ASP424D, ASP75B, ASP75D, GLN136B, GLN136D, GLU123B, GLU123D, GLU130B, GLU130D, GLU149B, GLU149D, GLU485D, GLU72B, GLU72D, GLY129B, GLY129D, GLY134B, GLY134D, GLY139B, GLY139D, GLY140B, GLY140D, HIS71B, HIS71D, ILE145B, ILE145D, ILE427B, ILE427D, ILE440B, ILE440D, ILE67B, ILE67D, ILE70B, ILE70D, LEU125B, LEU125D, LEU127B, LEU127D, LEU132B, LEU132D, LEU147B, LEU147D, LEU481B, LEU481D, LEU483B, LEU483D, LYS133B, LYS133D, LYS138B, LYS138D, LYS143B, LYS143D, LYS421B, LYS421D, PHE137B, PHE137D, PRO69B, PRO69D, SER141B, SER141D, SER142B, SER142D, THR131B, THR131D, THR420D, THR423B, THR423D, THR479B, THR479D, TYR488D, TYR78B, TYR78D, VAL148B, VAL148D, VAL74B, VAL74D
• C-D: ALA121C, ALA121D, ALA124C, ALA124D, ALA400C, ALA403C, ALA426C, ALA484D, ARG118C, ARG118D, ARG126C, ARG126D, ARG425C, ASN128C, ASN128D, ASN401C, ASN428C, ASN428D, ASN482C, ASN482D, ASN486D, ASP115C, ASP122C, ASP122D, ASP399C, ASP422C, ASP424C, ASP424D, GLU123C, GLU123D, GLU402C, GLU485D, GLY430C, HIS119C, HIS119D, HIS432C, HIS450C, HIS450D, ILE116C, ILE116D, ILE117C, ILE145C, ILE145D, ILE267C, ILE404C, ILE418C, ILE427C, ILE427D, ILE429C, ILE466C, ILE466D, LEU125C, LEU125D, LEU127C, LEU147C, LEU147D, LEU269C, LEU470C, LEU470D, LEU481C, LEU481D, LEU483C, LEU483D, LEU487D, LYS133C, LYS133D, LYS431C, LYS431D, LYS467C, LYS467D, PHE451C, PRO452C, PRO452D, SER405C, THR120C, THR120D, THR423C, THR423D, TYR488D, TYR78C, TYR78D