2AX4

crystal structure of the kinase domain of human 3'- phosphoadenosine 5'-phosphosulphate synthetase 2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 146
  • Norm. En. per Res.: -4.2333
• 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	-81.9835	-103.4327	-432.652	-618.0682	146	20	18	18402	9	55	55
A-C	-7.2436	-14.0475	-5.9162	-27.2073	12	1	0	488	2	10	10
A-D	0.0	0.0	-0.0087	-0.0087	2	0	0	9	0	0	1
B-C	-10.3052	5.4717	-103.172	-108.0055	70	5	0	4331	0	20	17
C-D	-63.3237	-96.6422	-419.853	-579.819	143	25	18	18316	8	56	53

Interface residues

• A-B: ALA114A, ALA114B, ALA117A, ALA117B, ALA121A, ALA121B, ALA123A, ALA123B, ALA32A, ALA71A, ALA71B, ALA80A, ALA80B, ARG111A, ARG111B, ARG112A, ARG112B, ARG37A, ARG37B, ARG40A, ARG40B, ARG47A, ARG47B, ARG92A, ARG92B, ARG97A, ARG97B, ASN141A, ASN141B, ASN38B, ASN90A, ASN90B, ASN96A, ASN96B, ASN98A, ASN98B, ASP122A, ASP122B, ASP87A, ASP87B, ASP89A, ASP89B, CYS127B, CYS83A, CYS83B, GLN31A, GLN42A, GLN42B, GLU107A, GLU108A, GLU108B, GLU115A, GLU115B, GLU73A, GLU73B, GLU74A, GLU74B, GLY124A, GLY124B, GLY41A, GLY41B, GLY45A, GLY45B, GLY88A, GLY88B, GLY94A, GLY94B, HIS33A, HIS34A, HIS34B, HIS79A, HIS79B, HIS93A, HIS93B, ILE113A, ILE113B, ILE128A, ILE128B, ILE145A, ILE145B, ILE81A, ILE81B, LEU119A, LEU119B, LEU125A, LEU125B, LEU151A, LEU151B, LEU72A, LEU72B, LEU76A, LEU76B, LEU86A, LEU86B, LEU95A, LEU95B, LEU99A, LEU99B, LYS118A, LYS118B, LYS144A, LYS144B, LYS171B, LYS39A, LYS39B, PHE120A, PHE120B, PHE50A, PHE50B, PHE70A, PHE70B, PRO82A, PRO82B, SER130A, SER130B, SER36A, SER36B, SER69A, SER69B, SER78A, SER78B, SER85A, SER85B, THR129A, THR46A, THR46B, THR66A, THR66B, THR67A, THR67B, TYR75A, TYR75B, TYR84A, TYR84B, VAL116A, VAL116B, VAL35A, VAL35B, VAL43A, VAL43B, VAL44A, VAL44B, VAL77A, VAL77B, VAL91A, VAL91B
• A-C: ARG143C, ASN38A, GLU140C, GLU147C, HIS33A, HIS34A, ILE145C, LYS144C, LYS39A, SER148C, SER36A, VAL35A
• A-D: ARG97D, LYS39A
• B-C: ALA149C, ALA71B, ALA80B, ARG143C, ARG168B, ARG37C, ARG47B, ARG51C, ASN205B, ASN224C, ASN38C, ASP211B, CYS212B, CYS53C, GLN215B, GLN221B, GLN221C, GLN223C, GLN31C, GLN42C, GLU147C, GLU218B, GLU222C, GLU73B, GLU74B, GLY150C, GLY41C, GLY48C, GLY49C, GLY52C, HIS146C, HIS214B, HIS33C, HIS34C, HIS79B, ILE145C, ILE164B, ILE225C, LEU151C, LEU206B, LEU220C, LEU72B, LYS118C, LYS144C, LYS203B, LYS39C, PHE153C, PHE154C, PHE50C, PHE70B, PRO152C, PRO227B, SER148C, SER167B, SER207B, SER210B, SER36C, SER78B, THR204B, THR208B, THR46B, THR67B, TYR228B, TYR228C, TYR75B, VAL170B, VAL209B, VAL213B, VAL226C, VAL77B
• C-D: ALA114C, ALA114D, ALA117C, ALA117D, ALA121C, ALA121D, ALA123C, ALA123D, ALA32C, ALA71C, ALA80C, ALA80D, ARG111C, ARG111D, ARG112C, ARG112D, ARG37C, ARG37D, ARG40C, ARG40D, ARG47C, ARG47D, ARG92C, ARG92D, ARG97C, ARG97D, ASN141C, ASN141D, ASN38D, ASN90C, ASN90D, ASN96C, ASN96D, ASN98C, ASN98D, ASP122C, ASP122D, ASP87C, ASP87D, ASP89C, ASP89D, CYS127C, CYS83C, CYS83D, GLN31C, GLN42C, GLN42D, GLU108C, GLU108D, GLU115C, GLU115D, GLU73C, GLU73D, GLU74C, GLU74D, GLY124C, GLY124D, GLY41C, GLY41D, GLY45C, GLY45D, GLY88C, GLY88D, GLY94C, GLY94D, HIS33C, HIS34C, HIS34D, HIS79C, HIS79D, HIS93C, HIS93D, ILE113C, ILE113D, ILE128C, ILE128D, ILE145C, ILE145D, ILE81C, ILE81D, LEU119C, LEU119D, LEU125C, LEU125D, LEU151C, LEU151D, LEU72C, LEU76C, LEU76D, LEU86C, LEU86D, LEU95C, LEU95D, LEU99C, LEU99D, LYS118C, LYS118D, LYS144C, LYS144D, LYS171D, LYS39C, LYS39D, PHE120C, PHE120D, PHE50C, PHE50D, PHE70C, PHE70D, PRO82C, PRO82D, SER130C, SER130D, SER36C, SER36D, SER69C, SER69D, SER78C, SER78D, SER85C, SER85D, THR129C, THR46C, THR46D, THR66C, THR66D, THR67C, THR67D, TYR75C, TYR75D, TYR84C, TYR84D, VAL116C, VAL116D, VAL35C, VAL35D, VAL43C, VAL43D, VAL44C, VAL44D, VAL77C, VAL77D, VAL91C, VAL91D