2D5N

crystal structure of a bifunctional deaminase and reductase involved in riboflavin biosynthesis

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 165
  • Norm. En. per Res.: -4.3105
• 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	-93.7649	1.7119	-610.313	-702.3661	165	35	27	25644	0	25	33
A-C	-21.8323	3.0764	-225.033	-243.789	110	26	4	9578	3	19	24
B-D	-16.9119	-10.4051	-196.219	-223.536	107	25	4	8538	4	19	23
C-D	-98.1723	4.5807	-617.642	-711.2336	165	36	26	25447	0	24	33

Interface residues

• A-B: ALA152A, ALA154A, ALA154B, ALA161A, ALA161B, ALA294A, ALA294B, ALA313A, ALA313B, ALA322A, ALA322B, ALA356A, ALA356B, ARG350A, ARG350B, ASP157A, ASP157B, ASP166A, ASP166B, ASP336A, ASP336B, ASP344A, ASP344B, ASP351A, ASP351B, GLN332A, GLN332B, GLN341A, GLN341B, GLN347A, GLN347B, GLU307A, GLU307B, GLU329A, GLU329B, GLY158A, GLY158B, GLY165A, GLY165B, GLY297A, GLY297B, GLY303A, GLY303B, GLY318A, GLY318B, GLY319A, GLY319B, GLY328A, GLY328B, GLY330A, GLY330B, GLY349A, GLY349B, HIS296A, HIS296B, HIS321A, HIS321B, ILE160A, ILE160B, ILE170A, ILE170B, ILE308A, ILE308B, ILE309A, ILE309B, ILE317A, ILE317B, ILE326A, ILE326B, ILE345A, ILE345B, ILE348A, ILE348B, ILE352A, ILE352B, LEU150A, LEU150B, LEU156A, LEU156B, LEU316A, LEU316B, LEU325A, LEU325B, LEU339A, LEU339B, LEU340A, LEU340B, LEU354A, LEU354B, LYS159A, LYS159B, LYS168A, LYS168B, LYS301A, LYS301B, LYS315A, LYS315B, LYS335A, LYS335B, LYS353A, LYS353B, LYS357A, LYS357B, MET334A, MET334B, PHE299A, PHE299B, PHE305A, PHE305B, PHE310A, PHE310B, PHE312A, PHE312B, PHE331A, PHE331B, PHE342A, PHE342B, PRO314A, PRO314B, PRO323A, PRO323B, PRO338A, PRO338B, PRO358A, PRO358B, SER155A, SER155B, SER163A, SER163B, SER167A, SER167B, SER172A, SER172B, SER293A, SER293B, SER324A, SER324B, SER327A, SER327B, SER333A, SER333B, THR162A, THR162B, THR164A, THR164B, THR171A, THR171B, THR320A, THR320B, THR343A, THR343B, THR346A, THR346B, THR355A, THR355B, THR359A, THR359B, TRP169A, TRP169B, TYR311A, TYR311B, VAL300A, VAL300B, VAL337A, VAL337B
• A-C: ALA13A, ALA13C, ALA28A, ALA41A, ALA41C, ALA48A, ALA48C, ALA50A, ALA50C, ALA54A, ALA54C, ALA58A, ALA58C, ALA60A, ALA60C, ALA9A, ALA9C, ASN209A, ASN209C, ASP11A, ASP11C, ASP33A, ASP33C, GLN15A, GLN15C, GLN19A, GLN19C, GLN35A, GLN35C, GLU17A, GLU17C, GLU21A, GLU21C, GLU47A, GLU47C, GLY16A, GLY16C, GLY18A, GLY18C, GLY27A, GLY27C, GLY34A, GLY34C, GLY38A, GLY38C, GLY40A, GLY40C, GLY59A, HIS42A, HIS42C, HIS49A, HIS49C, HIS53A, HIS53C, HIS56A, HIS56C, HIS61A, HIS61C, ILE36A, ILE36C, ILE55A, LEU12A, LEU12C, LEU207A, LEU43A, LEU43C, LEU8A, LEU8C, LYS14A, LYS14C, LYS184A, LYS212A, LYS212C, LYS32A, LYS32C, LYS44A, LYS44C, LYS7C, MET1A, MET1C, MET39A, MET39C, MET57A, MET57C, PRO208A, PRO208C, THR20A, THR20C, THR211A, THR211C, TYR45A, TYR45C, TYR4A, TYR4C, TYR5A, TYR5C, VAL210A, VAL210C, VAL26A, VAL26C, VAL29A, VAL29C, VAL30A, VAL30C, VAL31A, VAL31C, VAL37A, VAL37C, VAL52A, VAL52C
• B-D: ALA13B, ALA13D, ALA28B, ALA28D, ALA41B, ALA41D, ALA48B, ALA48D, ALA50B, ALA50D, ALA54B, ALA54D, ALA58B, ALA58D, ALA60B, ALA60D, ALA9B, ALA9D, ASN209B, ASN209D, ASP11B, ASP11D, ASP33B, ASP33D, GLN15B, GLN15D, GLN19B, GLN19D, GLN35B, GLN35D, GLU17B, GLU17D, GLU21B, GLU21D, GLU47B, GLU47D, GLY16B, GLY16D, GLY18B, GLY18D, GLY27B, GLY27D, GLY34B, GLY34D, GLY38B, GLY38D, GLY40B, GLY40D, GLY59B, GLY59D, HIS42B, HIS42D, HIS49B, HIS53B, HIS53D, HIS56B, HIS56D, HIS61B, HIS61D, ILE36B, ILE36D, ILE55D, LEU10B, LEU12B, LEU12D, LEU43B, LEU43D, LEU8B, LEU8D, LYS14B, LYS14D, LYS32B, LYS32D, LYS44B, LYS44D, LYS7B, MET1B, MET1D, MET39B, MET39D, MET57B, MET57D, PRO208B, PRO208D, THR20B, THR20D, THR211B, THR211D, TYR45B, TYR45D, TYR4B, TYR4D, TYR5B, TYR5D, VAL210D, VAL26B, VAL26D, VAL29B, VAL29D, VAL30B, VAL30D, VAL31B, VAL31D, VAL37B, VAL37D, VAL52B, VAL52D
• C-D: ALA152C, ALA152D, ALA154C, ALA154D, ALA161C, ALA161D, ALA294C, ALA294D, ALA313C, ALA313D, ALA322C, ALA322D, ALA356C, ALA356D, ARG350C, ARG350D, ASP157C, ASP157D, ASP166C, ASP166D, ASP336C, ASP336D, ASP344C, ASP344D, ASP351C, ASP351D, GLN332C, GLN332D, GLN341C, GLN341D, GLN347C, GLN347D, GLU307C, GLU307D, GLU329C, GLU329D, GLY158C, GLY158D, GLY165C, GLY165D, GLY297C, GLY297D, GLY303C, GLY303D, GLY318C, GLY318D, GLY319C, GLY319D, GLY328C, GLY328D, GLY330C, GLY330D, GLY349C, GLY349D, HIS296C, HIS296D, HIS321C, HIS321D, ILE160C, ILE160D, ILE170C, ILE170D, ILE308C, ILE308D, ILE309C, ILE309D, ILE317C, ILE317D, ILE326C, ILE326D, ILE345C, ILE345D, ILE348C, ILE348D, ILE352C, ILE352D, LEU150C, LEU150D, LEU156C, LEU156D, LEU316C, LEU316D, LEU325C, LEU325D, LEU339C, LEU339D, LEU340C, LEU340D, LEU354C, LEU354D, LYS159C, LYS159D, LYS168C, LYS168D, LYS301C, LYS301D, LYS315C, LYS315D, LYS335C, LYS335D, LYS353C, LYS353D, LYS357C, LYS357D, MET334C, MET334D, PHE299C, PHE299D, PHE305C, PHE305D, PHE310C, PHE310D, PHE312C, PHE312D, PHE331C, PHE331D, PHE342C, PHE342D, PRO314C, PRO314D, PRO323C, PRO323D, PRO338C, PRO338D, PRO358C, PRO358D, SER155C, SER155D, SER163C, SER163D, SER167C, SER167D, SER172C, SER172D, SER293C, SER293D, SER324C, SER324D, SER327C, SER327D, SER333C, SER333D, THR162C, THR162D, THR164C, THR164D, THR171C, THR171D, THR320C, THR320D, THR343C, THR343D, THR346C, THR346D, THR355C, THR355D, THR359D, TRP169C, TRP169D, TYR311C, TYR311D, VAL300C, VAL300D, VAL337C, VAL337D