3QKW

structure of streptococcus parasangunini gtf3 glycosyltransferase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 126
  • Norm. En. per Res.: -4.3973
• 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	-85.6441	-139.4509	-272.945	-498.04	127	19	6	11068	8	28	35
A-C	0.0	31.3261	-56.329	-25.0029	46	10	0	3178	0	10	6
A-D	-31.3562	-33.0412	-255.655	-320.0524	110	7	10	10918	4	15	28
B-C	-55.907	-35.3312	-263.011	-354.2492	118	14	10	11604	4	16	29
B-D	0.0	37.0427	-70.9719	-33.9291	46	6	0	3257	0	10	6
C-D	-128.8068	-149.1576	-276.091	-554.0554	126	23	6	11313	12	28	34

Interface residues

• A-B: ALA-1B, ALA28A, ALA28B, ALA60A, ALA60B, ARG2A, ARG2B, ARG34A, ARG34B, ARG54A, ARG54B, ARG63A, ARG63B, ASN22A, ASN22B, ASN76A, ASN76B, ASN7A, ASN7B, ASN9A, ASN9B, ASP26A, ASP26B, ASP46A, ASP46B, ASP56A, ASP56B, ASP66A, ASP66B, CYS0A, CYS0B, CYS40A, CYS40B, GLN11A, GLN11B, GLN18A, GLN18B, GLN21A, GLN21B, GLN42A, GLN42B, GLU35A, GLU35B, GLU48A, GLU48B, GLU50A, GLU50B, GLY10A, GLY10B, GLY32A, GLY32B, GLY37A, GLY37B, GLY57A, GLY57B, GLY61A, GLY61B, HIS44A, HIS44B, HIS64A, HIS64B, ILE13A, ILE13B, ILE38A, ILE38B, ILE43A, ILE43B, ILE58A, ILE58B, ILE5A, ILE5B, ILE8A, ILE8B, LEU19A, LEU19B, LEU31A, LEU31B, LEU36A, LEU36B, LEU51A, LEU51B, LEU55A, LEU55B, LEU62A, LEU62B, LYS53A, LYS53B, LYS87A, LYS87B, PHE80A, PHE80B, SER12A, SER12B, SER30A, SER30B, SER47A, SER47B, SER49A, SER49B, SER52A, SER52B, THR23A, THR23B, THR25A, THR25B, THR45A, THR45B, TYR33A, TYR33B, TYR39A, TYR39B, TYR41A, TYR41B, TYR4A, TYR4B, TYR91A, TYR91B, VAL24A, VAL24B, VAL27A, VAL27B, VAL29A, VAL29B, VAL3A, VAL3B, VAL59A, VAL59B
• A-C: ALA160A, ALA160C, ARG212A, ARG212C, ARG311A, ARG311C, ASP214A, ASP214C, ASP26A, ASP26C, GLN159A, GLN159C, GLN216A, GLN216C, GLN223A, GLN223C, GLU215A, GLU215C, GLU220A, GLU220C, LEU217A, LEU217C, LEU218A, LEU218C, LYS312A, MET162A, MET162C, MET219A, MET219C, PHE163A, PHE163C, PRO157A, PRO157C, PRO161A, PRO161C, PRO164A, PRO164C, PRO213A, PRO213C, SER222A, SER30A, SER30C, THR158A, THR158C, THR23C, TYR211A
• A-D: ALA-1D, ALA28A, ALA28D, ALA327A, ALA327D, ARG2A, ARG2D, ARG304A, ARG304D, ARG311A, ARG311D, ARG317A, ARG317D, ARG318A, ARG318D, ARG34D, ASN271A, ASN271D, ASN272A, ASN272D, ASN302A, ASN307A, ASN307D, ASP155A, ASP155D, ASP66A, ASP66D, ASP92D, CYS0A, CYS0D, CYS329A, CYS329D, GLN151A, GLN151D, GLN159A, GLN159D, GLN326A, GLN326D, GLU322A, GLU322D, GLY152A, GLY152D, GLY313A, GLY313D, GLY32A, GLY32D, GLY65A, GLY65D, ILE309A, ILE309D, ILE328A, ILE328D, ILE69A, ILE69D, LEU268A, LEU268D, LEU274A, LEU274D, LEU310A, LEU310D, LEU319A, LEU319D, LEU31A, LEU31D, LEU320A, LEU320D, LYS147A, LYS147D, LYS312A, LYS312D, LYS94A, LYS94D, MET153A, MET153D, MET162A, MET162D, MET1A, MET1D, PHE306A, PHE306D, PHE314A, PHE314D, PHE315A, PHE315D, PHE325A, PHE325D, PRO161A, PRO308A, PRO308D, SER305A, SER305D, SER30A, SER30D, SER323A, SER323D, THR158D, THR316A, THR316D, THR321A, THR321D, TYR33A, TYR33D, VAL27A, VAL27D, VAL324A, VAL324D, VAL3A, VAL3D, VAL67A, VAL67D
• B-C: ALA-1B, ALA28B, ALA28C, ALA327B, ALA327C, ARG2B, ARG2C, ARG304B, ARG304C, ARG311B, ARG311C, ARG317B, ARG317C, ARG318B, ARG318C, ARG34B, ARG34C, ASN271B, ASN271C, ASN272B, ASN272C, ASN302B, ASN302C, ASN307B, ASN307C, ASP155B, ASP155C, ASP330C, ASP66B, ASP66C, ASP92B, ASP92C, CYS0B, CYS0C, CYS329B, CYS329C, GLN151B, GLN151C, GLN159B, GLN159C, GLN326B, GLN326C, GLU267B, GLU322B, GLU322C, GLY152B, GLY152C, GLY273B, GLY313B, GLY313C, GLY32B, GLY32C, GLY65B, GLY65C, ILE309B, ILE309C, ILE328B, ILE328C, ILE69B, ILE69C, LEU268B, LEU268C, LEU274B, LEU274C, LEU310B, LEU310C, LEU319B, LEU319C, LEU31B, LEU31C, LEU320B, LEU320C, LYS147B, LYS147C, LYS312B, LYS312C, LYS94B, LYS94C, MET153B, MET153C, MET162B, MET162C, MET1B, MET1C, PHE306B, PHE306C, PHE314B, PHE314C, PHE315B, PHE315C, PHE325B, PHE325C, PRO161C, PRO308B, PRO308C, SER305B, SER305C, SER30B, SER30C, SER323B, SER323C, THR158B, THR158C, THR316B, THR316C, THR321B, THR321C, TYR33B, TYR33C, VAL27B, VAL27C, VAL29C, VAL324B, VAL324C, VAL3B, VAL3C, VAL67B, VAL67C
• B-D: ALA160B, ALA160D, ARG212B, ARG212D, ARG311B, ARG311D, ASP214B, ASP214D, ASP26D, GLN159B, GLN159D, GLN216B, GLN216D, GLN223B, GLN223D, GLU215B, GLU215D, GLU220B, GLU220D, HIS156B, LEU217B, LEU217D, LEU218B, LEU218D, LYS312B, MET162B, MET162D, MET219B, MET219D, PHE163B, PHE163D, PRO157B, PRO157D, PRO161B, PRO161D, PRO164B, PRO164D, PRO213B, PRO213D, SER222B, SER30B, SER30D, THR158B, THR158D, TYR211B, TYR211D
• C-D: ALA-1D, ALA28C, ALA28D, ALA60C, ALA60D, ARG2C, ARG2D, ARG34C, ARG34D, ARG54C, ARG54D, ARG63C, ARG63D, ASN22C, ASN22D, ASN76C, ASN76D, ASN7C, ASN7D, ASN9C, ASN9D, ASP26C, ASP26D, ASP46C, ASP46D, ASP56C, ASP56D, ASP66C, ASP66D, CYS0C, CYS0D, CYS40C, CYS40D, GLN11C, GLN11D, GLN18C, GLN18D, GLN21C, GLN21D, GLN42C, GLN42D, GLU35C, GLU35D, GLU48C, GLU50C, GLU50D, GLY10C, GLY10D, GLY32C, GLY32D, GLY37C, GLY37D, GLY57C, GLY57D, GLY61C, GLY61D, HIS44C, HIS44D, HIS64C, HIS64D, ILE13C, ILE13D, ILE38C, ILE38D, ILE43C, ILE43D, ILE58C, ILE58D, ILE5C, ILE5D, ILE8C, ILE8D, LEU19C, LEU19D, LEU31C, LEU31D, LEU36C, LEU36D, LEU51C, LEU51D, LEU55C, LEU55D, LEU62C, LEU62D, LYS53C, LYS53D, LYS87C, LYS87D, PHE80C, PHE80D, SER12C, SER12D, SER30C, SER30D, SER47C, SER47D, SER49C, SER49D, SER52C, SER52D, THR23C, THR23D, THR25C, THR25D, THR45C, THR45D, TYR33C, TYR33D, TYR39C, TYR39D, TYR41C, TYR41D, TYR4C, TYR4D, TYR91C, TYR91D, VAL24C, VAL24D, VAL27C, VAL27D, VAL29C, VAL29D, VAL3C, VAL3D, VAL59C, VAL59D