2D0O

strcuture of diol dehydratase-reactivating factor complexed with adp and mg2+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 90
  • Norm. En. per Res.: -2.9334
• 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	-42.7949	35.1665	-193.418	-201.0464	85	5	3	7223	8	34	32
A-C	-18.4358	-60.7802	-455.765	-534.981	239	13	3	19978	2	65	69
A-D	-2.6217	2.6844	-80.0174	-79.9547	36	1	2	3460	0	5	6
B-C	0.0	2.2167	-56.525	-54.3083	35	1	1	2754	0	7	6
B-D	-6.6397	0.0	-51.5575	-58.1972	40	0	0	2679	0	0	8
C-D	-40.5971	7.8167	-231.223	-264.0033	90	5	4	8616	13	33	34

Interface residues

• A-B: ALA142A, ALA492A, ALA495A, ALA81B, ARG104B, ARG112B, ARG165A, ARG174A, ARG23B, ARG496A, ARG96B, ASN100B, ASN173A, ASN76B, ASN97B, ASP140A, ASP143A, ASP166A, ASP167A, ASP183A, ASP511A, GLN93B, GLU184A, GLU24B, GLU30B, GLU31B, GLU32B, GLU470A, GLY107A, GLY108B, GLY168A, GLY28B, GLY33B, GLY510A, HIS474A, HIS73B, ILE109B, ILE181A, ILE29B, ILE34B, LEU105B, LEU163A, LEU170A, LEU26B, LEU27B, LEU472A, LEU489A, LEU508A, LEU512A, LEU60B, LEU77B, LEU83B, LYS104A, LYS107B, LYS468A, LYS75B, PHE111B, PHE141A, PHE36B, PHE473A, PHE484A, PHE494A, PRO103A, PRO106A, PRO110B, PRO204A, PRO488A, PRO491A, PRO507A, PRO509A, PRO78B, SER137A, SER172A, SER471A, SER92B, THR105A, TYR74B, VAL106B, VAL169A, VAL171A, VAL469A, VAL493A, VAL497A, VAL61B, VAL72B
• A-C: ALA202A, ALA218A, ALA218C, ALA235A, ALA235C, ALA256A, ALA256C, ALA410A, ALA410C, ALA467A, ALA467C, ALA495C, ALA502A, ALA502C, ALA513C, ALA519A, ALA519C, ALA571A, ALA571C, ALA573A, ALA573C, ALA579A, ALA579C, ARG236A, ARG236C, ARG242A, ARG242C, ARG257A, ARG407A, ARG407C, ARG476A, ARG476C, ARG518A, ARG518C, ARG522A, ARG522C, ARG576A, ARG576C, ARG581A, ARG581C, ARG585A, ARG585C, ASN102A, ASN102C, ASN213A, ASN213C, ASN222A, ASN222C, ASN230A, ASN230C, ASN583A, ASN583C, ASP479A, ASP479C, ASP511C, ASP561A, ASP561C, ASP570A, ASP570C, GLN355C, GLN483A, GLN483C, GLN566A, GLN566C, GLU209A, GLU209C, GLU226A, GLU226C, GLU227A, GLU227C, GLU470A, GLU470C, GLU478A, GLU478C, GLU515A, GLU515C, GLU563A, GLU563C, GLU588A, GLU588C, GLY205A, GLY205C, GLY216A, GLY216C, GLY240A, GLY240C, GLY404A, GLY404C, GLY480A, GLY480C, GLY580A, GLY580C, GLY582A, GLY582C, GLY586A, GLY586C, GLY589A, GLY589C, HIS474A, HIS477A, HIS477C, HIS574A, HIS574C, ILE208A, ILE208C, ILE217A, ILE217C, ILE231A, ILE231C, ILE239A, ILE239C, ILE411C, ILE584C, LEU111A, LEU111C, LEU223A, LEU223C, LEU409A, LEU409C, LEU466A, LEU466C, LEU475A, LEU475C, LEU512C, LEU514A, LEU514C, LEU554A, LEU554C, LEU560A, LEU560C, LEU567A, LEU567C, LEU572A, LEU572C, LEU577A, LEU577C, LYS104A, LYS104C, LYS206A, LYS206C, LYS229A, LYS229C, LYS255A, LYS255C, LYS463A, LYS463C, LYS468A, LYS468C, LYS501A, LYS501C, LYS516A, LYS516C, MET234A, MET234C, PHE221A, PHE221C, PHE484A, PHE485A, PHE494C, PHE551A, PHE551C, PHE562A, PHE562C, PRO106A, PRO106C, PRO204A, PRO204C, PRO214A, PRO214C, PRO225A, PRO225C, PRO233A, PRO233C, PRO403A, PRO403C, PRO408A, PRO408C, PRO465A, PRO465C, PRO550A, PRO550C, PRO565A, PRO565C, PRO590A, PRO590C, SER212A, SER212C, SER224A, SER224C, SER471C, SER481A, SER481C, SER559C, SER587A, SER587C, THR105A, THR105C, THR210A, THR210C, THR219A, THR219C, THR228A, THR228C, THR401A, THR401C, THR402A, THR402C, THR405A, THR405C, THR406A, THR406C, THR569A, THR569C, TYR215A, TYR215C, TYR464A, TYR464C, TYR575A, TYR575C, VAL203A, VAL203C, VAL207A, VAL207C, VAL220A, VAL220C, VAL232A, VAL232C, VAL254C, VAL469C, VAL482A, VAL482C, VAL500A, VAL500C, VAL552A, VAL552C, VAL553A, VAL553C, VAL578A, VAL578C
• A-D: ALA103D, ALA7D, ALA9D, ARG104D, ARG476A, GLN483A, GLU32D, GLU470A, GLY108D, GLY33D, GLY480A, HIS474A, ILE109D, ILE10D, ILE34D, LEU105D, LEU472A, LEU475A, LEU59D, LEU60D, LYS107D, PHE473A, PHE484A, PHE485A, PRO110D, PRO35D, PRO488A, PRO58D, PRO8D, SER471A, SER481A, SER486A, SER6D, THR487A, VAL106D, VAL482A
• B-C: ALA103B, ALA7B, ALA9B, ARG104B, ARG37B, ARG476C, GLN483C, GLU32B, GLU470C, GLY108B, GLY33B, GLY480C, HIS474C, HIS5B, ILE109B, ILE34B, LEU105B, LEU472C, LEU475C, LEU59B, LYS107B, PHE473C, PHE484C, PHE485C, PRO35B, PRO488C, PRO58B, PRO8B, SER471C, SER481C, SER486C, SER6B, THR487C, VAL106B, VAL482C
• B-D: ALA54B, ALA54D, ALA79B, ALA79D, ALA7B, ALA7D, ALA81D, ALA9B, ALA9D, ARG55B, ARG55D, ASN76B, ASN76D, HIS5B, LEU59B, LEU59D, LEU60B, LEU60D, LEU77B, LEU77D, LYS75B, LYS75D, PRO58B, PRO58D, PRO78B, PRO78D, PRO8B, PRO8D, SER56B, SER56D, SER57B, SER57D, SER6B, SER6D, SER80D, TRP51B, TRP51D, TYR74B, TYR74D, VAL61D
• C-D: ALA103D, ALA142C, ALA492C, ALA495C, ALA81D, ARG104D, ARG112D, ARG165C, ARG174C, ARG23D, ARG496C, ARG96D, ASN100D, ASN101D, ASN173C, ASN76D, ASN97D, ASP113D, ASP140C, ASP143C, ASP166C, ASP167C, ASP183C, ASP511C, GLN93D, GLU184C, GLU24D, GLU30D, GLU31D, GLU32D, GLU470C, GLY107C, GLY108D, GLY168C, GLY28D, GLY33D, GLY510C, HIS474C, HIS73D, ILE109D, ILE29D, ILE34D, LEU105D, LEU163C, LEU170C, LEU26D, LEU27D, LEU472C, LEU489C, LEU508C, LEU512C, LEU60D, LEU77D, LEU83D, LYS104C, LYS107D, LYS468C, LYS75D, PHE111D, PHE141C, PHE36D, PHE473C, PHE484C, PHE494C, PHE84D, PRO103C, PRO106C, PRO110D, PRO488C, PRO490C, PRO491C, PRO507C, PRO509C, PRO78D, PRO82D, SER172C, SER471C, SER486C, SER92D, THR105C, THR487C, TYR74D, VAL106D, VAL169C, VAL171C, VAL469C, VAL493C, VAL497C, VAL61D, VAL72D