2HK0

crystal structure of d-psicose 3-epimerase (dpease) in the absence of substrate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 123
  • Norm. En. per Res.: -4.631
• 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	0.0	-1.8679	-126.086	-127.954	59	0	4	4490	0	13	22
A-C	-13.6845	31.9594	-47.6647	-29.3898	30	5	0	1757	4	19	20
A-D	-31.1752	-112.7814	-425.172	-569.1286	123	9	2	15551	8	73	53
B-C	-33.406	-110.5408	-425.667	-569.6137	123	10	2	15708	8	74	53
B-D	-14.6952	35.6243	-47.5974	-26.6683	30	6	0	1920	4	19	20
C-D	-4.287	-1.8561	-124.1	-130.2431	59	0	4	4384	0	13	21

Interface residues

• A-B: ALA276A, ALA276B, ALA279A, ALA279B, ALA281A, ALA281B, ARG216A, ARG216B, ARG222A, ARG222B, ARG233A, ARG233B, ARG277A, ARG277B, ARG284A, ARG284B, ASN214A, ASN214B, ASN278A, ASN278B, ASP275A, ASP275B, GLU212A, GLU212B, GLU227A, GLU227B, GLU274A, GLU274B, GLY219A, GLY219B, GLY221A, GLY221B, HIS226A, HIS226B, LEU230A, LEU230B, LEU280A, LEU280B, LEU287A, LYS220A, LYS220B, LYS271A, LYS271B, PHE282A, PHE282B, PHE285A, PHE285B, PRO218A, PRO218B, PRO224A, PRO224B, SER283A, SER283B, TRP225A, TRP225B, VAL217A, VAL217B, VAL286A, VAL286B
• A-C: ALA197A, ALA197C, ALA231A, ALA231C, ARG199A, ARG199C, ARG233A, ARG233C, ASP192A, ASP192C, ASP196A, ASP196C, ASP234A, ASP234C, GLU191A, GLU191C, GLU227A, GLU227C, GLY195A, GLY195C, HIS226A, HIS226C, LEU230A, LEU230C, PHE194A, PHE194C, PRO224A, PRO224C, SER193A, SER193C
• A-D: ALA163A, ALA163D, ALA164A, ALA164D, ALA197A, ALA197D, ARG154A, ARG154D, ARG215A, ARG215D, ARG216A, ARG216D, ARG222A, ARG222D, ARG261A, ARG261D, ASN153A, ASN153D, ASN157A, ASN157D, ASN161A, ASN161D, ASN188A, ASN188D, ASN214A, ASN214D, ASP115A, ASP115D, ASP192A, ASP192D, ASP196A, ASP196D, ASP256A, ASP256D, ASP262A, ASP262D, GLN118A, GLN118D, GLU156A, GLU156D, GLU165A, GLU165D, GLU190A, GLU190D, GLU191A, GLU191D, GLU212A, GLU212D, GLU227A, GLU227D, GLY195A, GLY195D, GLY221A, GLY221D, GLY254A, GLY254D, HIS158A, HIS158D, HIS186A, HIS186D, ILE114A, ILE114D, ILE189A, ILE189D, ILE257A, ILE257D, LEU152A, LEU152D, LEU160A, LEU160D, LEU263A, LEU263D, LYS122A, LYS122D, LYS220A, LYS220D, LYS258A, LYS258D, LYS70A, PHE155A, PHE155D, PHE185A, PHE185D, PHE194A, PHE194D, PHE246A, PHE246D, PRO113A, PRO113D, PRO119A, PRO119D, PRO224A, PRO224D, SER117A, SER117D, SER193A, SER193D, SER213A, SER213D, SER255A, SER255D, THR162A, THR162D, THR184A, THR184D, THR249A, THR249D, TRP112A, TRP112D, TRP260A, TRP260D, TYR116A, TYR116D, VAL120A, VAL120D, VAL151A, VAL151D, VAL159A, VAL159D, VAL247A, VAL247D, VAL259A, VAL259D
• B-C: ALA163B, ALA163C, ALA164B, ALA164C, ALA197C, ARG154B, ARG154C, ARG215B, ARG215C, ARG216B, ARG216C, ARG222B, ARG222C, ARG261B, ARG261C, ASN153B, ASN153C, ASN157B, ASN157C, ASN161B, ASN161C, ASN188B, ASN188C, ASN214B, ASN214C, ASP115B, ASP115C, ASP121B, ASP192B, ASP192C, ASP196B, ASP196C, ASP256B, ASP256C, ASP262B, ASP262C, GLN118B, GLN118C, GLU156B, GLU156C, GLU165B, GLU165C, GLU190B, GLU190C, GLU191B, GLU191C, GLU212B, GLU212C, GLU227B, GLU227C, GLY195B, GLY195C, GLY221B, GLY221C, GLY254B, GLY254C, HIS158B, HIS158C, HIS186B, HIS186C, ILE114B, ILE114C, ILE189B, ILE189C, ILE257B, ILE257C, LEU152B, LEU152C, LEU160B, LEU160C, LEU263B, LEU263C, LYS122B, LYS122C, LYS220B, LYS220C, LYS258B, LYS258C, LYS70B, PHE155B, PHE155C, PHE185B, PHE185C, PHE194B, PHE194C, PHE246B, PHE246C, PRO113B, PRO113C, PRO119B, PRO119C, PRO224B, PRO224C, SER117B, SER117C, SER193B, SER193C, SER213B, SER213C, SER255B, SER255C, THR162B, THR162C, THR184B, THR184C, THR249B, THR249C, TRP112B, TRP112C, TRP260B, TRP260C, TYR116B, TYR116C, VAL120B, VAL120C, VAL151B, VAL151C, VAL159B, VAL159C, VAL247B, VAL247C, VAL259B, VAL259C
• B-D: ALA197B, ALA197D, ALA231B, ALA231D, ARG199B, ARG199D, ARG233B, ARG233D, ASP192B, ASP192D, ASP196B, ASP196D, ASP234B, ASP234D, GLU191B, GLU191D, GLU227B, GLU227D, GLY195B, GLY195D, HIS226B, HIS226D, LEU230B, LEU230D, PHE194B, PHE194D, PRO224B, PRO224D, SER193B, SER193D
• C-D: ALA276C, ALA276D, ALA279C, ALA279D, ALA281C, ALA281D, ARG216C, ARG216D, ARG222C, ARG222D, ARG233C, ARG233D, ARG277C, ARG277D, ARG284C, ARG284D, ASN214C, ASN214D, ASN278C, ASN278D, ASP275C, ASP275D, GLU212C, GLU212D, GLU227C, GLU227D, GLU274C, GLU274D, GLY219C, GLY219D, GLY221C, GLY221D, GLY289D, HIS226C, HIS226D, LEU230C, LEU230D, LEU280C, LEU280D, LYS220C, LYS220D, LYS271C, LYS271D, PHE282C, PHE282D, PHE285C, PHE285D, PRO218C, PRO218D, PRO224C, PRO224D, SER283C, SER283D, TRP225C, TRP225D, VAL217C, VAL217D, VAL286C, VAL286D