3QXB

crystal structure of a putative xylose isomerase (yp_426450.1) from rhodospirillum rubrum atcc 11170 at 1.90 a resolution

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 186
  • Norm. En. per Res.: -3.742
• 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	-121.5417	-4.7877	-562.501	-688.8303	186	19	4	21819	4	59	56
A-C	0.0	0.0	-33.586	-33.586	45	1	0	1867	0	6	7
B-D	0.0	2.4077	-10.1714	-7.7637	22	1	0	504	0	6	5
C-D	-104.7917	-34.2421	-556.969	-696.0028	186	17	4	21201	5	59	56

Interface residues

• A-B: ALA10A, ALA10B, ALA121A, ALA121B, ALA122A, ALA122B, ALA124A, ALA124B, ALA164A, ALA164B, ALA274A, ALA274B, ALA53A, ALA53B, ALA55A, ALA55B, ALA75A, ALA75B, ALA84A, ALA84B, ARG129A, ARG129B, ARG13A, ARG13B, ARG19A, ARG19B, ARG235A, ARG235B, ARG275A, ARG275B, ARG49A, ARG49B, ARG51A, ARG51B, ARG52A, ARG52B, ARG99A, ARG99B, ASN80A, ASN80B, ASP123A, ASP123B, ASP234A, ASP234B, ASP276A, ASP276B, ASP38A, ASP38B, ASP41A, ASP41B, ASP46A, ASP46B, ASP50A, ASP50B, CYS8A, CYS8B, GLN232A, GLN232B, GLN95A, GLN95B, GLU166A, GLU166B, GLU16A, GLU16B, GLU201A, GLU273A, GLU273B, GLU277A, GLU277B, GLU48A, GLU48B, GLU88A, GLU88B, GLY117A, GLY117B, GLY196B, GLY205A, GLY73A, GLY73B, GLY93A, GLY93B, HIS197A, HIS197B, HIS236A, HIS236B, HIS81A, HIS81B, HIS96A, HIS96B, ILE47A, ILE47B, LEU125A, LEU125B, LEU15A, LEU15B, LEU163A, LEU163B, LEU203A, LEU203B, LEU233A, LEU233B, LEU23A, LEU23B, LEU269A, LEU269B, LEU280A, LEU280B, LEU39A, LEU39B, LEU74A, LEU74B, LEU83A, LEU83B, LEU87A, LEU87B, LEU89A, LEU89B, LEU92A, LEU92B, LYS12A, LYS12B, PHE116A, PHE116B, PHE200A, PHE200B, PHE204A, PHE272A, PHE272B, PRO115A, PRO115B, PRO162A, PRO162B, PRO17A, PRO17B, PRO202A, PRO202B, PRO271A, PRO271B, PRO42A, PRO42B, PRO45A, PRO45B, PRO85A, PRO85B, SER118A, SER118B, SER120A, SER120B, SER76A, SER76B, SER91A, SER91B, THR165A, THR165B, THR36A, THR36B, THR40A, THR40B, THR78A, THR78B, THR86A, THR86B, TRP14A, TRP14B, TRP43A, TRP43B, TRP44A, TRP44B, TYR119A, TYR119B, TYR270A, TYR270B, TYR35A, TYR35B, TYR37A, TYR37B, TYR56A, TYR56B, TYR77A, TYR77B, TYR79A, TYR79B, VAL11A, VAL11B, VAL161A, VAL161B
• A-C: ALA281A, ALA285A, ALA289A, ALA289C, ALA292A, ALA292C, ALA293A, ALA293C, ALA296A, ARG249C, ASP230C, ASP252A, ASP252C, GLN228A, GLN228C, GLN232C, GLN241A, GLN241C, GLN248A, GLN248C, GLN251C, GLU201C, GLY243A, GLY243C, LYS288A, LYS291A, PHE239A, PHE239C, PRO242A, PRO242C, PRO247A, PRO247C, PRO295A, SER238A, SER286A, SER294A, SER294C, THR240A, THR240C, THR246A, THR246C, TRP237C, VAL244A, VAL244C, VAL245C
• B-D: ALA289D, ALA292D, ARG249B, ASP230B, ASP230D, GLN228D, GLN232B, GLN241D, GLU201B, GLU201D, GLY205B, GLY231B, GLY243B, GLY243D, PRO202B, PRO206B, PRO242B, PRO242D, THR246D, TRP237D, VAL244B, VAL244D
• C-D: ALA10C, ALA10D, ALA121C, ALA121D, ALA122C, ALA122D, ALA124C, ALA124D, ALA164C, ALA164D, ALA274C, ALA274D, ALA53C, ALA53D, ALA55C, ALA55D, ALA75C, ALA75D, ALA84C, ALA84D, ARG129C, ARG129D, ARG13C, ARG13D, ARG19C, ARG19D, ARG235C, ARG235D, ARG275C, ARG275D, ARG49C, ARG49D, ARG51C, ARG51D, ARG52C, ARG52D, ARG99C, ARG99D, ASN126D, ASN80C, ASN80D, ASP123C, ASP123D, ASP234C, ASP234D, ASP276C, ASP276D, ASP38C, ASP38D, ASP41C, ASP41D, ASP46C, ASP46D, ASP50C, ASP50D, CYS8C, CYS8D, GLN232C, GLN232D, GLN90D, GLN95C, GLN95D, GLU166C, GLU166D, GLU16C, GLU16D, GLU273C, GLU273D, GLU277C, GLU277D, GLU48C, GLU48D, GLU88C, GLU88D, GLY117C, GLY117D, GLY196C, GLY196D, GLY73C, GLY73D, GLY93C, GLY93D, HIS197C, HIS197D, HIS236C, HIS236D, HIS81C, HIS81D, HIS96C, HIS96D, ILE47C, ILE47D, LEU125C, LEU125D, LEU15C, LEU15D, LEU163C, LEU163D, LEU203C, LEU203D, LEU233C, LEU233D, LEU23C, LEU23D, LEU269C, LEU269D, LEU280C, LEU280D, LEU39C, LEU39D, LEU74C, LEU74D, LEU83C, LEU83D, LEU87C, LEU87D, LEU89C, LEU89D, LEU92C, LEU92D, LYS12C, LYS12D, PHE116C, PHE116D, PHE200C, PHE200D, PHE272C, PHE272D, PRO115C, PRO115D, PRO162C, PRO162D, PRO17C, PRO17D, PRO202C, PRO202D, PRO271C, PRO271D, PRO42C, PRO42D, PRO45C, PRO45D, PRO85C, PRO85D, SER118C, SER118D, SER120C, SER120D, SER76C, SER76D, SER91C, SER91D, THR165C, THR165D, THR36C, THR36D, THR40C, THR40D, THR78C, THR78D, THR86C, THR86D, TRP14C, TRP14D, TRP43C, TRP43D, TRP44C, TRP44D, TYR119C, TYR119D, TYR270C, TYR270D, TYR35C, TYR35D, TYR37C, TYR37D, TYR56C, TYR56D, TYR77C, TYR77D, TYR79C, TYR79D, VAL11C, VAL11D, VAL161C, VAL161D